{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,17]],"date-time":"2026-08-17T21:54:54Z","timestamp":1787003694526,"version":"build-2736575974"},"reference-count":110,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2025,7,8]],"date-time":"2025-07-08T00:00:00Z","timestamp":1751932800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"},{"start":{"date-parts":[[2025,7,8]],"date-time":"2025-07-08T00:00:00Z","timestamp":1751932800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Sci Rep"],"DOI":"10.1038\/s41598-025-93121-2","type":"journal-article","created":{"date-parts":[[2025,7,8]],"date-time":"2025-07-08T04:01:33Z","timestamp":1751947293000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":8,"title":["ADME analysis, metabolic prediction, and molecular docking of lipoic acid with SARS-CoV-2 Omicron spike protein"],"prefix":"10.1038","volume":"15","author":[{"given":"Carlos Alonso Leite","family":"dos Santos","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antonia Adeublena","family":"de Ara\u00fajo Monteiro","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adrielle Rodrigues","family":"Costa","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Luiz Marivando","family":"Barros","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdulaziz","family":"Aloufi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mashal M.","family":"Almutairi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Waseem","family":"Hassan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean Paul","family":"Kamdem","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Antonia Eliene","family":"Duarte","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abid","family":"Ali","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammad","family":"Ibrahim","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2025,7,8]]},"reference":[{"issue":"2","key":"93121_CR1","doi-asserted-by":"publisher","first-page":"272","DOI":"10.1007\/s43450-023-00370-1","volume":"33","author":"AK Tripathi","year":"2023","unstructured":"Tripathi, A. K. et al. Insights moleculares e terap\u00eauticos do \u00e1cido alfa-lip\u00f3ico Como uma mol\u00e9cula potencial Para preven\u00e7\u00e3o de Doen\u00e7as. Revista Brasileira De Farmacognosia. 33 (2), 272\u2013287. https:\/\/doi.org\/10.1007\/s43450-023-00370-1 (2023).","journal-title":"Revista Brasileira De Farmacognosia"},{"issue":"4","key":"93121_CR2","doi-asserted-by":"publisher","first-page":"893","DOI":"10.1007\/s11030-018-9839-y","volume":"22","author":"L Kang","year":"2018","unstructured":"Kang, L. et al. Structure\u2013activity relationship investigation of coumarin\u2013chalcone hybrids with diverse side-chains as acetylcholinesterase and butyrylcholinesterase inhibitors. Mol. Diversity. 22 (4), 893\u2013906. https:\/\/doi.org\/10.1007\/s11030-018-9839-y (2018).","journal-title":"Mol. Diversity"},{"key":"93121_CR3","doi-asserted-by":"publisher","first-page":"155258","DOI":"10.1016\/j.phymed.2023.155258","volume":"128","author":"K Wang","year":"2024","unstructured":"Wang, K. et al. Inhibition of inflammation by Berberine: molecular mechanism and network Pharmacology analysis. Phytomedicine 128, 155258. https:\/\/doi.org\/10.1016\/j.phymed.2023.155258 (2024).","journal-title":"Phytomedicine"},{"issue":"2952","key":"93121_CR4","doi-asserted-by":"publisher","first-page":"93","DOI":"10.1126\/science.114.2952.93","volume":"N.Y.), 114","author":"LJ Reed","year":"1951","unstructured":"Reed, L. J., Debusk, B. G., Gunsalus, I. C. & Hornberger CSJr. Crystalline alpha-lipoic acid; a catalytic agent associated with pyruvate dehydrogenase. Sci. (New York. N.Y.), 114 (2952), 93\u201394. https:\/\/doi.org\/10.1126\/science.114.2952.93 (1951).","journal-title":"Sci. (New York"},{"key":"93121_CR5","first-page":"1911","volume":"43","author":"E Bock","year":"1959","unstructured":"Bock, E. & Schneeweiss, J. Ein beitrag Zur therapie der neuropathia diabetica. Munchner Med. Wochenschrift. 43, 1911\u20131912 (1959).","journal-title":"Munchner Med. Wochenschrift"},{"key":"93121_CR6","doi-asserted-by":"publisher","first-page":"1051","DOI":"10.1039\/C39830001051","volume":"19","author":"MH Brookes","year":"1983","unstructured":"Brookes, M. H., Golding, B. T., Howes, D. A. & Hudson, A. T. Proof that the absolute configuration of natural \u03b1-lipoic acid is R by the synthesis of its enantiomer [(S)-(\u2013)-\u03b1-lipoic acid] from (S)-malic acid. J. Chem. Soc., Chem. Commun. 19, 1051\u20131053 (1983).","journal-title":"J. Chem. Soc., Chem. Commun."},{"key":"93121_CR7","doi-asserted-by":"publisher","first-page":"112891","DOI":"10.1016\/j.ejmech.2020.112891","volume":"209","author":"AM Pisoschi","year":"2021","unstructured":"Pisoschi, A. M. et al. Mitiga\u00e7\u00e3o do estresse oxidativo Por antioxidantes \u2014 uma Vis\u00e3o geral sobre Sua Qu\u00edmica e influ\u00eancias no Estado de Sa\u00fade. Eur. J. Med. Chem. 209, 112891 (2021).","journal-title":"Eur. J. Med. Chem."},{"key":"93121_CR8","doi-asserted-by":"publisher","unstructured":"Li, R., Luo, P., Guo, Y., He, Y. & Wang, C. Clinical features, treatment, and prognosis of SGLT2 inhibitors induced acute pancreatitis. Exp. Opin. Drug Saf. 1\u20135. https:\/\/doi.org\/10.1080\/14740338.2024.2396387 (2024).","DOI":"10.1080\/14740338.2024.2396387"},{"issue":"8","key":"93121_CR9","doi-asserted-by":"publisher","first-page":"1037","DOI":"10.1002\/ddr.21726","volume":"81","author":"Q Lu","year":"2020","unstructured":"Lu, Q. et al. Nitrogen-containing flavonoid and their analogs with diverse B-ring in acetylcholinesterase and butyrylcholinesterase Inhibition. Drug Dev. Res. 81 (8), 1037\u20131047. https:\/\/doi.org\/10.1002\/ddr.21726 (2020).","journal-title":"Drug Dev. Res."},{"issue":"4","key":"93121_CR10","doi-asserted-by":"publisher","first-page":"436e1","DOI":"10.1016\/j.ajog.2023.12.022","volume":"230","author":"X Li","year":"2024","unstructured":"Li, X. et al. The association of post\u2013embryo transfer SARS-CoV-2 infection with early pregnancy outcomes in in vitro fertilization: a prospective cohort study. Am. J. Obstet. Gynecol. 230 (4), 436e1. 436.e12 (2024).","journal-title":"Am. J. Obstet. Gynecol."},{"issue":"1","key":"93121_CR11","doi-asserted-by":"publisher","first-page":"126","DOI":"10.1016\/j.abb.2003.12.020","volume":"423","author":"JH Suh","year":"2004","unstructured":"Suh, J. H., Wang, H., Liu, R. M., Liu, J. & Hagen, T. M. (R)-alpha-lipoic acid reverses the age-related loss in GSH redox status in post-mitotic tissues: evidence for increased cysteine requirement for GSH synthesis. Arch. Biochem. Biophys. 423 (1), 126\u2013135. https:\/\/doi.org\/10.1016\/j.abb.2003.12.020 (2004).","journal-title":"Arch. Biochem. Biophys."},{"issue":"9","key":"93121_CR12","doi-asserted-by":"publisher","first-page":"6539","DOI":"10.1007\/s11033-021-06643-z","volume":"48","author":"P Theodosis-Nobelos","year":"2021","unstructured":"Theodosis-Nobelos, P., Papagiouvannis, G., Tziona, P. & Rekka, E. A. Lipoic acid. Kinetics and pluripotent biological properties and derivatives. Mol. Biol. Rep. 48 (9), 6539\u20136550. https:\/\/doi.org\/10.1007\/s11033-021-06643-z (2021).","journal-title":"Mol. Biol. Rep."},{"key":"93121_CR13","doi-asserted-by":"publisher","unstructured":"Yin, M. et al. sc2GWAS: a comprehensive platform linking single cell and GWAS traits of human. Nucleic Acids Res. gkae1008. https:\/\/doi.org\/10.1093\/nar\/gkae1008 (2024).","DOI":"10.1093\/nar\/gkae1008"},{"issue":"4","key":"93121_CR14","doi-asserted-by":"publisher","first-page":"759","DOI":"10.1038\/s41401-021-00679-4","volume":"43","author":"D Ji","year":"2022","unstructured":"Ji, D. et al. Role of TRPM2 in brain tumours and potential as a drug target. Acta Pharmacol. Sin. 43 (4), 759\u2013770. https:\/\/doi.org\/10.1038\/s41401-021-00679-4 (2022).","journal-title":"Acta Pharmacol. Sin."},{"key":"93121_CR15","doi-asserted-by":"publisher","first-page":"105159","DOI":"10.1016\/j.fbio.2024.105159","volume":"62","author":"MS Kara\u011fa\u00e7","year":"2024","unstructured":"Kara\u011fa\u00e7, M. S. et al. Esculetin improves inflammation of the kidney via gene expression against doxorubicin-induced nephrotoxicity in rats: in vivo and in Silico studies. Food Bioscience. 62, 105159 (2024).","journal-title":"Food Bioscience"},{"issue":"10","key":"93121_CR16","doi-asserted-by":"publisher","first-page":"e23861","DOI":"10.1002\/jbt.23861","volume":"38","author":"D Kizir","year":"2024","unstructured":"Kizir, D. et al. The protective effects of Esculetin against Doxorubicin-Induced hepatotoxicity in rats: insights into the modulation of caspase, FOXOs, and heat shock protein pathways. J. Biochem. Mol. Toxicol. 38 (10), e23861 (2024).","journal-title":"J. Biochem. Mol. Toxicol."},{"issue":"1","key":"93121_CR17","first-page":"44","volume":"4","author":"N \u00d6zt\u00fcrk","year":"2024","unstructured":"\u00d6zt\u00fcrk, N. et al. Exploring Esculetin\u2019s protective role: countering Doxorubicin-Induced oxidative stress in rat heart. Laboratuvar Hayvanlar\u0131 Bilimi Ve Uygulamalar\u0131 Dergisi. 4 (1), 44\u201352 (2024).","journal-title":"Laboratuvar Hayvanlar\u0131 Bilimi Ve Uygulamalar\u0131 Dergisi"},{"issue":"1","key":"93121_CR18","doi-asserted-by":"publisher","first-page":"906","DOI":"10.1111\/j.1749-6632.2000.tb05456.x","volume":"917","author":"MA Beck","year":"2000","unstructured":"Beck, M. A., Handy, J. & Levander, O. A. The role of oxidative stress in viral infections. Ann. N. Y. Acad. Sci. 917 (1), 906\u2013912. https:\/\/doi.org\/10.1111\/j.1749-6632.2000.tb05456.x (2000).","journal-title":"Ann. N. Y. Acad. Sci."},{"issue":"8","key":"93121_CR19","doi-asserted-by":"publisher","first-page":"e23798","DOI":"10.1002\/jbt.23798","volume":"38","author":"N \u00d6zturk","year":"2024","unstructured":"\u00d6zturk, N., Ceylan, H. & Demir, Y. The hepatoprotective potential of Tannic acid against doxorubicin-induced hepatotoxicity: insights into its antioxidative, anti\u2010inflammatory, and antiapoptotic mechanisms. J. Biochem. Mol. Toxicol. 38 (8), e23798 (2024).","journal-title":"J. Biochem. Mol. Toxicol."},{"issue":"4","key":"93121_CR20","doi-asserted-by":"publisher","first-page":"e23702","DOI":"10.1002\/jbt.23702","volume":"38","author":"Z K\u00f6ro\u011flu","year":"2024","unstructured":"K\u00f6ro\u011flu, Z. et al. Protective effects of Esculetin against doxorubicin-induced toxicity correlated with oxidative stress in rat liver: in vivo and in Silico studies. J. Biochem. Mol. Toxicol. 38 (4), e23702 (2024).","journal-title":"J. Biochem. Mol. Toxicol."},{"issue":"6","key":"93121_CR21","doi-asserted-by":"publisher","first-page":"1339","DOI":"10.1002\/bab.2633","volume":"71","author":"D Kizir","year":"2024","unstructured":"Kizir, D., Karaman, M., Demir, Y. & Ceylan, H. Effect of Tannic acid on doxorubicin-induced cellular stress: expression levels of heat shock genes in rat spleen. Biotechnol. Appl. Chem. 71 (6), 1339\u20131345. https:\/\/doi.org\/10.1002\/bab.2633 (2024).","journal-title":"Biotechnol. Appl. Chem."},{"issue":"1","key":"93121_CR22","doi-asserted-by":"publisher","first-page":"16","DOI":"10.1002\/ddr.21895","volume":"83","author":"S Hu","year":"2022","unstructured":"Hu, S. et al. Races of small molecule clinical trials for the treatment of COVID-19: an up-to-date comprehensive review. Drug Dev. Res. 83 (1), 16\u201354. https:\/\/doi.org\/10.1002\/ddr.21895 (2022).","journal-title":"Drug Dev. Res."},{"key":"93121_CR23","doi-asserted-by":"publisher","DOI":"10.2174\/0109298673309489240816063313","author":"Y Cheng","year":"2024","unstructured":"Cheng, Y. et al. The investigation of Nf\u03bab inhibitors to block cell proliferation in OSCC cells lines. Curr. Med. Chem. https:\/\/doi.org\/10.2174\/0109298673309489240816063313 (2024).","journal-title":"Curr. Med. Chem."},{"key":"93121_CR24","doi-asserted-by":"publisher","first-page":"0355","DOI":"10.34133\/research.0355","volume":"7","author":"H Feng","year":"2024","unstructured":"Feng, H. et al. Orexin neurons to sublaterodorsal tegmental nucleus pathway prevents sleep onset REM sleep-Like behavior by relieving the REM sleep pressure. Research 7, 0355. https:\/\/doi.org\/10.34133\/research.0355 (2024).","journal-title":"Research"},{"key":"93121_CR25","doi-asserted-by":"publisher","first-page":"114035","DOI":"10.1016\/j.bios.2022.114035","volume":"204","author":"Y Gao","year":"2022","unstructured":"Gao, Y. et al. Dual signal light detection of beta-lactoglobulin based on a porous silicon Bragg mirror. Biosens. Bioelectron. 204, 114035. https:\/\/doi.org\/10.1016\/j.bios.2022.114035 (2022).","journal-title":"Biosens. Bioelectron."},{"issue":"1","key":"93121_CR26","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1186\/s13098-023-01016-x","volume":"15","author":"AR Smith","year":"2023","unstructured":"Smith, A. R. & Hagen, T. M. Alpha-lipoic acid as a pleiotropic compound with potential therapeutic use in diabetes and other chronic diseases. Diabetol. Metab. Syndr. 15 (1), 45 (2023).","journal-title":"Diabetol. Metab. Syndr."},{"issue":"1","key":"93121_CR27","doi-asserted-by":"publisher","first-page":"2195991","DOI":"10.1080\/14756366.2023.2195991","volume":"38","author":"Y Gao","year":"2023","unstructured":"Gao, Y. et al. Design, synthesis and biological evaluation of novel histone deacetylase (HDAC) inhibitors derived from \u03b2-elemene scaffold. J. Enzyme Inhib. Med. Chem. 38 (1), 2195991. https:\/\/doi.org\/10.1080\/14756366.2023.2195991 (2023).","journal-title":"J. Enzyme Inhib. Med. Chem."},{"issue":"48","key":"93121_CR28","doi-asserted-by":"publisher","first-page":"33032","DOI":"10.1021\/acsnano.4c05693","volume":"18","author":"Q Zhang","year":"2024","unstructured":"Zhang, Q. et al. Multi targeted therapy for Alzheimer\u2019s disease by Guanidinium-Modified Calixarene and cyclodextrin Co-Assembly loaded with insulin. ACS Nano. 18 (48), 33032\u201333041. https:\/\/doi.org\/10.1021\/acsnano.4c05693 (2024).","journal-title":"ACS Nano"},{"key":"93121_CR29","doi-asserted-by":"publisher","first-page":"566609","DOI":"10.3389\/fmed.2021.566609","volume":"8","author":"M Zhong","year":"2022","unstructured":"Zhong, M. et al. Active-Controlled study to evaluate the clinical efficacy and safety of \u03b1-Lipoic acid for critically ill patients with coronavirus disease 2019 (COVID-19). Front. Med. 8, 566609. https:\/\/doi.org\/10.3389\/fmed.2021.566609 (2022).","journal-title":"Front. Med."},{"issue":"4","key":"93121_CR30","doi-asserted-by":"publisher","first-page":"e59153","DOI":"10.7759\/cureus.59153","volume":"16","author":"M Nguyen","year":"2024","unstructured":"Nguyen, M., Aulick, S. & Kennedy, C. Effectiveness of vitamin D and Alpha-Lipoic acid in COVID-19 infection: A literature review. Cureus 16 (4), e59153. https:\/\/doi.org\/10.7759\/cureus.59153 (2024).","journal-title":"Cureus"},{"key":"93121_CR31","doi-asserted-by":"publisher","first-page":"42717","DOI":"10.1038\/srep42717","volume":"7","author":"A Daina","year":"2017","unstructured":"Daina, A., Michielin, O. & Zoete, V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci. Rep. 7, 42717. https:\/\/doi.org\/10.1038\/srep42717 (2017).","journal-title":"Sci. Rep."},{"issue":"48","key":"93121_CR32","doi-asserted-by":"publisher","first-page":"e202204050","DOI":"10.1002\/slct.202204050","volume":"7","author":"C T\u00fcrke\u015f","year":"2022","unstructured":"T\u00fcrke\u015f, C., Demir, Y. & Beydemir, \u015e. In vitro inhibitory activity and molecular Docking study of selected natural phenolic compounds as AR and SDH inhibitors. ChemistrySelect 7 (48), e202204050 (2022).","journal-title":"ChemistrySelect"},{"key":"93121_CR33","doi-asserted-by":"crossref","unstructured":"Buza, A. et al. Novel benzenesulfonamides containing a dual Triazole moiety with selective carbonic anhydrase Inhibition and anticancer activity. RSC Med. Chem. (2024).","DOI":"10.1039\/D4MD00617H"},{"key":"93121_CR34","doi-asserted-by":"publisher","first-page":"107221","DOI":"10.1016\/j.bioorg.2024.107221","volume":"145","author":"\u00d6 G\u00fcle\u00e7","year":"2024","unstructured":"G\u00fcle\u00e7, \u00d6. et al. Novel spiroindoline derivatives targeting aldose reductase against diabetic complications: bioactivity, cytotoxicity, and molecular modeling studies. Bioorg. Chem. 145, 107221 (2024a).","journal-title":"Bioorg. Chem."},{"key":"93121_CR35","doi-asserted-by":"publisher","first-page":"125558","DOI":"10.1016\/j.molliq.2024.125558","volume":"410","author":"\u00d6 G\u00fcle\u00e7","year":"2024","unstructured":"G\u00fcle\u00e7, \u00d6. et al. Bioactivity, cytotoxicity, and molecular modeling studies of novel sulfonamides as dual inhibitors of carbonic anhydrases and acetylcholinesterase. J. Mol. Liq. 410, 125558 (2024b).","journal-title":"J. Mol. Liq."},{"issue":"12","key":"93121_CR36","doi-asserted-by":"publisher","first-page":"e2991","DOI":"10.1002\/jmr.2991","volume":"35","author":"C T\u00fcrke\u015f","year":"2022","unstructured":"T\u00fcrke\u015f, C. et al. N-substituted phthalazine sulfonamide derivatives as non\u2010classical aldose reductase inhibitors. J. Mol. Recognit. 35 (12), e2991 (2022).","journal-title":"J. Mol. Recognit."},{"issue":"11","key":"93121_CR37","doi-asserted-by":"publisher","first-page":"2950","DOI":"10.1021\/ci300447c","volume":"52","author":"J Ali","year":"2012","unstructured":"Ali, J., Camilleri, P., Brown, M. B., Hutt, A. J. & Kirton, S. B. In Silico prediction of aqueous solubility using simple QSPR models: the importance of phenol and phenol-like moieties. J. Chem. Inf. Model. 52 (11), 2950\u20132957. https:\/\/doi.org\/10.1021\/ci300447c (2012).","journal-title":"J. Chem. Inf. Model."},{"issue":"2","key":"93121_CR38","doi-asserted-by":"publisher","first-page":"27012","DOI":"10.1289\/EHP9341","volume":"130","author":"JVB Borba","year":"2022","unstructured":"Borba, J. V. B. et al. STopTox: an in Silico alternative to animal testing for acute systemic and topical toxicity. Environ. Health Perspect. 130 (2), 27012. https:\/\/doi.org\/10.1289\/EHP9341 (2022).","journal-title":"Environ. Health Perspect."},{"key":"93121_CR39","doi-asserted-by":"publisher","first-page":"124232","DOI":"10.1016\/j.ijbiomac.2023.124232","volume":"239","author":"A Buza","year":"2023","unstructured":"Buza, A. et al. Discovery of novel benzenesulfonamides incorporating 1,2,3-triazole scaffold as carbonic anhydrase I, II, IX, and XII inhibitors. Int. J. Biol. Macromol. 239, 124232. https:\/\/doi.org\/10.1016\/j.ijbiomac.2023.124232 (2023).","journal-title":"Int. J. Biol. Macromol."},{"issue":"W1","key":"93121_CR40","doi-asserted-by":"publisher","first-page":"W257","DOI":"10.1093\/nar\/gky318","volume":"46","author":"P Banerjee","year":"2018","unstructured":"Banerjee, P., Eckert, A. O., Schrey, A. K. & Preissner, R. ProTox-II: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res. 46 (W1), W257\u2013W263. https:\/\/doi.org\/10.1093\/nar\/gky318 (2018).","journal-title":"Nucleic Acids Res."},{"key":"93121_CR41","doi-asserted-by":"publisher","first-page":"W513","DOI":"10.1093\/nar\/gkae303","volume":"52(W1)","author":"P Banerjee","year":"2024","unstructured":"Banerjee, P., Kemmler, E., Dunkel, M., Preissner, R. & ProTox 3.0: a webserver for the prediction of toxicity of chemicals. Nucleic Acids Res. 52(W1), W513\u2013W520. https:\/\/doi.org\/10.1093\/nar\/gkae303 (2024).","journal-title":"Nucleic Acids Res."},{"issue":"4","key":"93121_CR42","doi-asserted-by":"publisher","first-page":"168","DOI":"10.1021\/acscentsci.5b00131","volume":"1","author":"TB Hughes","year":"2015","unstructured":"Hughes, T. B., Miller, G. P. & Swamidass, S. J. Modeling epoxidation of Drug-like molecules with a deep machine learning network. ACS Cent. Sci. 1 (4), 168\u2013180. https:\/\/doi.org\/10.1021\/acscentsci.5b00131 (2015a).","journal-title":"ACS Cent. Sci."},{"key":"93121_CR43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrestox.6b00385","author":"TB Hughes","year":"2017","unstructured":"Hughes, T. B. & Swamidass, S. J. Deep learning to predict the formation of Quinone species in drug metabolism. Chem. Res. Toxicol. https:\/\/doi.org\/10.1021\/acs.chemrestox.6b00385 (2017).","journal-title":"Chem. Res. Toxicol."},{"issue":"4","key":"93121_CR44","doi-asserted-by":"publisher","first-page":"797","DOI":"10.1021\/acs.chemrestox.5b00017","volume":"28","author":"TB Hughes","year":"2015","unstructured":"Hughes, T. B., Miller, G. P. & Swamidass, S. J. Site of reactivity models predict molecular reactivity of diverse chemicals with glutathione. Chem. Res. Toxicol. 28 (4), 797\u2013809. https:\/\/doi.org\/10.1021\/acs.chemrestox.5b00017 (2015b).","journal-title":"Chem. Res. Toxicol."},{"key":"93121_CR45","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.6b00162","author":"TB Hughes","year":"2016","unstructured":"Hughes, T. B., Dang, N. L., Miller, G. P. & Swamidass, S. J. Modeling reactivity to biological macromolecules with a deep multitask network. ACS Cent. Sci. https:\/\/doi.org\/10.1021\/acscentsci.6b00162 (2016).","journal-title":"ACS Cent. Sci."},{"issue":"3","key":"93121_CR46","doi-asserted-by":"publisher","first-page":"1146","DOI":"10.1021\/acs.jcim.9b00836","volume":"60","author":"NL Dang","year":"2020","unstructured":"Dang, N. L., Matlock, M. K., Hughes, T. B. & Swamidass, S. J. The metabolic Rainbow: deep learning phase I metabolism in five colors. J. Chem. Inf. Model. 60 (3), 1146\u20131164. https:\/\/doi.org\/10.1021\/acs.jcim.9b00836 (2020).","journal-title":"J. Chem. Inf. Model."},{"issue":"2","key":"93121_CR47","doi-asserted-by":"publisher","first-page":"68","DOI":"10.1021\/acs.chemrestox.7b00191","volume":"31","author":"NL Dang","year":"2018","unstructured":"Dang, N. L., Hughes, T. B., Miller, G. P. & Swamidass, S. J. Computationally assessing the bioactivation of drugs by N-Dealkylation. Chem. Res. Toxicol. 31 (2), 68\u201380. https:\/\/doi.org\/10.1021\/acs.chemrestox.7b00191 (2018).","journal-title":"Chem. Res. Toxicol."},{"key":"93121_CR48","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btw350","author":"NL Dang","year":"2016","unstructured":"Dang, N. L., Hughes, T. B., Krishnamurthy, V. & Swamidass, S. J. A simple model predicts UGT-Mediated metabolism. Bioinformatics https:\/\/doi.org\/10.1093\/bioinformatics\/btw350 (2016).","journal-title":"Bioinformatics"},{"key":"93121_CR49","doi-asserted-by":"publisher","unstructured":"Walker, J. M. (ed). The proteomics protocols handbook. Humana press. (2005). https:\/\/doi.org\/10.1385\/1592598900","DOI":"10.1385\/1592598900"},{"issue":"7","key":"93121_CR50","doi-asserted-by":"publisher","first-page":"1023","DOI":"10.1038\/s41587-021-01156-3","volume":"40","author":"F Teufel","year":"2022","unstructured":"Teufel, F. et al. SignalP 6.0 predicts all five types of signal peptides using protein Language models. Nat. Biotechnol. 40 (7), 1023\u20131025. https:\/\/doi.org\/10.1038\/s41587-021-01156-3 (2022).","journal-title":"Nat. Biotechnol."},{"key":"93121_CR51","unstructured":"Gupta, R. & Brunak, S. Prediction of glycosylation across the human proteome and the correlation to protein function. Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing, 310\u2013322. (2002)."},{"issue":"2","key":"93121_CR52","doi-asserted-by":"publisher","first-page":"455","DOI":"10.1002\/jcc.21334","volume":"31","author":"O Trott","year":"2010","unstructured":"Trott, O. & Olson, A. J. AutoDock Vina: improving the speed and accuracy of Docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 31 (2), 455\u2013461. https:\/\/doi.org\/10.1002\/jcc.21334 (2010).","journal-title":"J. Comput. Chem."},{"issue":"8","key":"93121_CR53","doi-asserted-by":"publisher","first-page":"1637","DOI":"10.1016\/0006-2952(92)90482-X","volume":"44","author":"VE Kagan","year":"1992","unstructured":"Kagan, V. E. et al. Dihydrolipoic acid\u2014a universal antioxidant both in the membrane and in the aqueous phase: reduction of Peroxyl, ascorbyl and chromanoxyl radicals. Biochem. Pharmacol. 44 (8), 1637\u20131649. https:\/\/doi.org\/10.1016\/0006-2952(92)90482-X (1992).","journal-title":"Biochem. Pharmacol."},{"key":"93121_CR54","doi-asserted-by":"publisher","unstructured":"Checconi, P. et al. Role of Glutathionylation in Infection and Inflammation. Nutrients, 11(8), (2019). (1952). https:\/\/doi.org\/10.3390\/nu11081952","DOI":"10.3390\/nu11081952"},{"issue":"6","key":"93121_CR55","doi-asserted-by":"publisher","first-page":"572","DOI":"10.1111\/j.1442-9071.2010.02319.x","volume":"38","author":"C Cagini","year":"2010","unstructured":"Cagini, C. et al. Study of alpha-lipoic acid penetration in the human aqueous after topical administration. Clin. Exp. Ophthalmol. 38 (6), 572\u2013576. https:\/\/doi.org\/10.1111\/j.1442-9071.2010.02319.x (2010).","journal-title":"Clin. Exp. Ophthalmol."},{"issue":"12","key":"93121_CR56","doi-asserted-by":"publisher","first-page":"3292","DOI":"10.1038\/s41433-020-01391-z","volume":"35","author":"MS Korenfeld","year":"2021","unstructured":"Korenfeld, M. S. et al. Topical lipoic acid choline ester eye drop for improvement of near visual acuity in subjects with presbyopia: a safety and preliminary efficacy trial. Eye (London England). 35 (12), 3292\u20133301. https:\/\/doi.org\/10.1038\/s41433-020-01391-z (2021).","journal-title":"Eye (London England)"},{"issue":"6","key":"93121_CR57","doi-asserted-by":"publisher","first-page":"2851","DOI":"10.1167\/iovs.15-18413","volume":"57","author":"WH Garner","year":"2016","unstructured":"Garner, W. H. & Garner, M. H. Protein disulfide levels and Lens elasticity modulation: applications for presbyopia. Investig. Ophthalmol. Vis. Sci. 57 (6), 2851\u20132863. https:\/\/doi.org\/10.1167\/iovs.15-18413 (2016).","journal-title":"Investig. Ophthalmol. Vis. Sci."},{"issue":"3","key":"93121_CR58","doi-asserted-by":"publisher","first-page":"193","DOI":"10.1016\/j.yrtph.2006.06.003","volume":"46","author":"DR Cremer","year":"2006","unstructured":"Cremer, D. R., Rabeler, R., Roberts, A. & Lynch, B. Long-term safety of alpha-lipoic acid (ALA) consumption: A 2-year study. Regul. Toxicol. Pharmacology: RTP. 46 (3), 193\u2013201. https:\/\/doi.org\/10.1016\/j.yrtph.2006.06.003 (2006a).","journal-title":"Regul. Toxicol. Pharmacology: RTP"},{"issue":"1","key":"93121_CR59","doi-asserted-by":"publisher","first-page":"29","DOI":"10.1016\/j.yrtph.2006.06.004","volume":"46","author":"DR Cremer","year":"2006","unstructured":"Cremer, D. R., Rabeler, R., Roberts, A. & Lynch, B. Safety evaluation of alpha-lipoic acid (ALA). Regul. Toxicol. Pharmacology: RTP. 46 (1), 29\u201341. https:\/\/doi.org\/10.1016\/j.yrtph.2006.06.004 (2006b).","journal-title":"Regul. Toxicol. Pharmacology: RTP"},{"issue":"7","key":"93121_CR60","doi-asserted-by":"publisher","first-page":"459","DOI":"10.1111\/1440-1681.12244","volume":"41","author":"G Li","year":"2014","unstructured":"Li, G. et al. \u03b1-Lipoic acid prolongs survival and attenuates acute kidney injury in a rat model of sepsis. Clin. Exp. Pharmacol. Physiol. 41 (7), 459\u2013468. https:\/\/doi.org\/10.1111\/1440-1681.12244 (2014).","journal-title":"Clin. Exp. Pharmacol. Physiol."},{"issue":"2","key":"93121_CR61","doi-asserted-by":"publisher","first-page":"227","DOI":"10.1016\/0891-5849(95)00017-R","volume":"19","author":"L Packer","year":"1995","unstructured":"Packer, L., Witt, E. H. & Tritschler, H. J. Alpha-lipoic acid as a biological antioxidant. Free Radic. Biol. Med. 19 (2), 227\u2013250. https:\/\/doi.org\/10.1016\/0891-5849(95)00017-R (1995).","journal-title":"Free Radic. Biol. Med."},{"issue":"11","key":"93121_CR62","doi-asserted-by":"publisher","first-page":"4896","DOI":"10.1021\/jm300065h","volume":"55","author":"ST Orr","year":"2012","unstructured":"Orr, S. T. et al. Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks. J. Med. Chem. 55 (11), 4896\u20134933. https:\/\/doi.org\/10.1021\/jm300065h (2012).","journal-title":"J. Med. Chem."},{"issue":"9","key":"93121_CR63","doi-asserted-by":"publisher","first-page":"846","DOI":"10.3390\/pharmaceutics12090846","volume":"12","author":"M Deodhar","year":"2020","unstructured":"Deodhar, M. et al. Mechanisms of CYP450 Inhibition: Understanding Drug-Drug interactions due to Mechanism-Based Inhibition in clinical practice. Pharmaceutics 12 (9), 846. https:\/\/doi.org\/10.3390\/pharmaceutics12090846 (2020).","journal-title":"Pharmaceutics"},{"issue":"23","key":"93121_CR64","doi-asserted-by":"publisher","first-page":"12808","DOI":"10.3390\/ijms222312808","volume":"22","author":"M Zhao","year":"2021","unstructured":"Zhao, M. et al. Cytochrome P450 enzymes and drug metabolism in humans. Int. J. Mol. Sci. 22 (23), 12808. https:\/\/doi.org\/10.3390\/ijms222312808 (2021).","journal-title":"Int. J. Mol. Sci."},{"issue":"9","key":"93121_CR65","doi-asserted-by":"publisher","first-page":"575","DOI":"10.1080\/00498254.2024.2395557","volume":"54","author":"BH Tan","year":"2024","unstructured":"Tan, B. H., Ahemad, N., Pan, Y. & Ong, C. E. Mechanism-based inactivation of cytochromes P450: implications in drug interactions and pharmacotherapy. Xenobiotica; Fate Foreign Compd. Biol. Syst. 54 (9), 575\u2013598. https:\/\/doi.org\/10.1080\/00498254.2024.2395557 (2024).","journal-title":"Xenobiotica; Fate Foreign Compd. Biol. Syst."},{"key":"93121_CR66","doi-asserted-by":"publisher","first-page":"120679","DOI":"10.1016\/j.lfs.2022.120679","volume":"304","author":"T Beigi","year":"2022","unstructured":"Beigi, T. et al. Protective role of ellagic acid and taurine against Fluoxetine induced hepatotoxic effects on biochemical and oxidative stress parameters, histopathological changes, and gene expressions of IL-1\u03b2, NF-\u03baB, and TNF-\u03b1 in male Wistar rats. Life Sci. 304, 120679. https:\/\/doi.org\/10.1016\/j.lfs.2022.120679 (2022).","journal-title":"Life Sci."},{"issue":"3","key":"93121_CR67","doi-asserted-by":"publisher","first-page":"315","DOI":"10.1016\/S0306-3623(96)00474-0","volume":"29","author":"GP Biewenga","year":"1997","unstructured":"Biewenga, G. P., Haenen, G. R. & Bast, A. The Pharmacology of the antioxidant lipoic acid. Gen. Pharmacology: Vascular Syst. 29 (3), 315\u2013331. https:\/\/doi.org\/10.1016\/S0306-3623(96)00474-0 (1997).","journal-title":"Gen. Pharmacology: Vascular Syst."},{"issue":"1","key":"93121_CR68","doi-asserted-by":"publisher","first-page":"380","DOI":"10.1080\/10717544.2021.1883158","volume":"28","author":"X Lu","year":"2021","unstructured":"Lu, X. et al. Development of L-carnosine functionalized iron oxide nanoparticles loaded with dexamethasone for simultaneous therapeutic potential of blood brain barrier crossing and ischemic stroke treatment. Drug Deliv. 28 (1), 380\u2013389. https:\/\/doi.org\/10.1080\/10717544.2021.1883158 (2021).","journal-title":"Drug Deliv."},{"issue":"17","key":"93121_CR69","doi-asserted-by":"publisher","first-page":"9290","DOI":"10.3390\/ijms22179290","volume":"22","author":"\u0141J Walczak-Nowicka","year":"2021","unstructured":"Walczak-Nowicka, \u0141. J. & Herbet, M. Acetylcholinesterase inhibitors in the treatment of neurodegenerative diseases and the role of acetylcholinesterase in their pathogenesis. Int. J. Mol. Sci. 22 (17), 9290. https:\/\/doi.org\/10.3390\/ijms22179290 (2021).","journal-title":"Int. J. Mol. Sci."},{"issue":"35","key":"93121_CR70","doi-asserted-by":"publisher","first-page":"22503","DOI":"10.1039\/d2ra04183a","volume":"12","author":"MA Javed","year":"2022","unstructured":"Javed, M. A. et al. Diclofenac derivatives as concomitant inhibitors of cholinesterase, monoamine oxidase, cyclooxygenase-2 and 5-lipoxygenase for the treatment of Alzheimer\u2019s disease: synthesis, pharmacology, toxicity and Docking studies. RSC Adv. 12 (35), 22503\u201322517. https:\/\/doi.org\/10.1039\/d2ra04183a (2022).","journal-title":"RSC Adv."},{"issue":"9","key":"93121_CR71","doi-asserted-by":"publisher","first-page":"101729","DOI":"10.1016\/j.jsps.2023.101729","volume":"31","author":"N Moussa","year":"2023","unstructured":"Moussa, N. & Dayoub, N. Exploring the role of COX-2 in Alzheimer\u2019s disease: potential therapeutic implications of COX-2 inhibitors. Saudi Pharm. Journal: SPJ : Official Publication Saudi Pharm. Soc. 31 (9), 101729. https:\/\/doi.org\/10.1016\/j.jsps.2023.101729 (2023).","journal-title":"Saudi Pharm. Journal: SPJ : Official Publication Saudi Pharm. Soc."},{"issue":"8","key":"93121_CR72","doi-asserted-by":"publisher","first-page":"1987","DOI":"10.3390\/molecules25081987","volume":"25","author":"A Artasensi","year":"2020","unstructured":"Artasensi, A., Pedretti, A., Vistoli, G. & Fumagalli, L. Type 2 diabetes mellitus: A review of Multi-Target drugs. Molecules (Basel Switzerland). 25 (8), 1987. https:\/\/doi.org\/10.3390\/molecules25081987 (2020).","journal-title":"Molecules (Basel Switzerland)"},{"issue":"14","key":"93121_CR73","doi-asserted-by":"publisher","first-page":"1327","DOI":"10.4155\/fmc-2020-0032","volume":"12","author":"M Kumar","year":"2020","unstructured":"Kumar, M., Choudhary, S., Singh, P. K. & Silakari, O. Addressing selectivity issues of aldose reductase 2 inhibitors for the management of diabetic complications. Future Med. Chem. 12 (14), 1327\u20131358 (2020).","journal-title":"Future Med. Chem."},{"issue":"10","key":"93121_CR74","doi-asserted-by":"publisher","first-page":"3194","DOI":"10.3390\/molecules27103194","volume":"27","author":"A Rauf","year":"2022","unstructured":"Rauf, A. et al. Neuroinflammatory markers: key indicators in the pathology of neurodegenerative diseases. Molecules (Basel Switzerland). 27 (10), 3194. https:\/\/doi.org\/10.3390\/molecules27103194 (2022).","journal-title":"Molecules (Basel Switzerland)"},{"key":"93121_CR75","doi-asserted-by":"publisher","first-page":"176694","DOI":"10.1016\/j.ejphar.2024.176694","volume":"976","author":"K Lohitaksha","year":"2024","unstructured":"Lohitaksha, K. et al. Eicosanoid signaling in neuroinflammation associated with Alzheimer\u2019s disease. Eur. J. Pharmacol. 976, 176694. https:\/\/doi.org\/10.1016\/j.ejphar.2024.176694 (2024).","journal-title":"Eur. J. Pharmacol."},{"issue":"3","key":"93121_CR76","doi-asserted-by":"publisher","first-page":"487","DOI":"10.21037\/tau-22-690","volume":"12","author":"B Chislett","year":"2023","unstructured":"Chislett, B. et al. 5-alpha reductase inhibitors use in prostatic disease and beyond. Translational Androl. Urol. 12 (3), 487\u2013496. https:\/\/doi.org\/10.21037\/tau-22-690 (2023).","journal-title":"Translational Androl. Urol."},{"issue":"2","key":"93121_CR77","doi-asserted-by":"publisher","first-page":"81","DOI":"10.2174\/1871525716666180724115132","volume":"16","author":"DF Mesitskaya","year":"2018","unstructured":"Mesitskaya, D. F. et al. A new target for the treatment of cardiovascular diseases. Cardiovasc. Hematol. Agents Med. Chem. 16 (2), 81\u201387. https:\/\/doi.org\/10.2174\/1871525716666180724115132 (2018).","journal-title":"Cardiovasc. Hematol. Agents Med. Chem."},{"issue":"2","key":"93121_CR78","doi-asserted-by":"publisher","first-page":"312","DOI":"10.1080\/19390211.2022.2075072","volume":"20","author":"SAG Naidu","year":"2023","unstructured":"Naidu, S. A. G., Clemens, R. A. & Naidu, A. S. SARS-CoV-2 infection dysregulates host Iron (Fe)-Redox homeostasis (Fe-R-H): role of Fe-Redox regulators, ferroptosis inhibitors, anticoagulants, and Iron-Chelators in COVID-19 control. J. Diet. Supplements. 20 (2), 312\u2013371. https:\/\/doi.org\/10.1080\/19390211.2022.2075072 (2023).","journal-title":"J. Diet. Supplements"},{"key":"93121_CR79","doi-asserted-by":"publisher","first-page":"878030","DOI":"10.1155\/2012\/878030","volume":"2012","author":"S Petri","year":"2012","unstructured":"Petri, S., K\u00f6rner, S. & Kiaei, M. Nrf2\/ARE signaling pathway: key mediator in oxidative stress and potential therapeutic target in ALS. Neurol. Res. Int. 2012, 878030. https:\/\/doi.org\/10.1155\/2012\/878030 (2012).","journal-title":"Neurol. Res. Int."},{"issue":"15","key":"93121_CR80","doi-asserted-by":"publisher","first-page":"7979","DOI":"10.3390\/ijms22157979","volume":"22","author":"L Rochette","year":"2021","unstructured":"Rochette, L. & Ghibu, S. Mechanics insights of Alpha-Lipoic acid against cardiovascular diseases during COVID-19 infection. Int. J. Mol. Sci. 22 (15), 7979. https:\/\/doi.org\/10.3390\/ijms22157979 (2021).","journal-title":"Int. J. Mol. Sci."},{"issue":"5","key":"93121_CR81","doi-asserted-by":"publisher","first-page":"2386","DOI":"10.1002\/ptr.6959","volume":"35","author":"Y Jalilpiran","year":"2021","unstructured":"Jalilpiran, Y. et al. The effect of Alpha-lipoic acid supplementation on endothelial function: A systematic review and meta-analysis. Phytother. Res. 35 (5), 2386\u20132395. https:\/\/doi.org\/10.1002\/ptr.6959 (2021).","journal-title":"Phytother. Res."},{"issue":"6","key":"93121_CR82","doi-asserted-by":"publisher","first-page":"1053","DOI":"10.3390\/antiox11061053","volume":"11","author":"M Iciek","year":"2022","unstructured":"Iciek, M., Bilska-Wilkosz, A., Kozdrowicki, M. & G\u00f3rny, M. Reactive sulfur compounds in the fight against COVID-19. Antioxid. (Basel Switzerland). 11 (6), 1053. https:\/\/doi.org\/10.3390\/antiox11061053 (2022).","journal-title":"Antioxid. (Basel Switzerland)"},{"key":"93121_CR83","doi-asserted-by":"publisher","first-page":"110185","DOI":"10.1016\/j.mehy.2020.110185","volume":"143","author":"E Cure","year":"2020","unstructured":"Cure, E. & Cumhur Cure, M. Alpha-lipoic acid May protect patients with diabetes against COVID-19 infection. Med. Hypotheses. 143, 110185. https:\/\/doi.org\/10.1016\/j.mehy.2020.110185 (2020).","journal-title":"Med. Hypotheses"},{"issue":"7","key":"93121_CR84","doi-asserted-by":"publisher","first-page":"1558","DOI":"10.1021\/acsinfecdis.0c00288","volume":"6","author":"A Polonikov","year":"2020","unstructured":"Polonikov, A. Endogenous deficiency of glutathione as the most likely cause of serious manifestations and death in COVID-19 patients. ACS Infect. Dis. 6 (7), 1558\u20131562. https:\/\/doi.org\/10.1021\/acsinfecdis.0c00288 (2020).","journal-title":"ACS Infect. Dis."},{"key":"93121_CR85","doi-asserted-by":"publisher","first-page":"106","DOI":"10.1016\/j.freeradbiomed.2023.05.034","volume":"206","author":"L Schwartz","year":"2023","unstructured":"Schwartz, L. et al. Toxicity of the Spike protein of COVID-19 is a redox shift phenomenon: A novel therapeutic approach. Free Radic. Biol. Med. 206, 106\u2013110. https:\/\/doi.org\/10.1016\/j.freeradbiomed.2023.05.034 (2023).","journal-title":"Free Radic. Biol. Med."},{"issue":"6583","key":"93121_CR86","doi-asserted-by":"publisher","first-page":"864","DOI":"10.1126\/science.abn8652","volume":"375","author":"M McCallum","year":"2022","unstructured":"McCallum, M. et al. Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement. Sci. (New York N Y). 375 (6583), 864\u2013868. https:\/\/doi.org\/10.1126\/science.abn8652 (2022).","journal-title":"Sci. (New York N Y)"},{"issue":"1","key":"93121_CR87","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41598-021-95565-8","volume":"11","author":"S Lopez-Leon","year":"2021","unstructured":"Lopez-Leon, S. et al. More than 50 long-term effects of COVID-19: a systematic review and meta-analysis. Sci. Rep. 11 (1), 1\u201312. https:\/\/doi.org\/10.1038\/s41598-021-95565-8 (2021).","journal-title":"Sci. Rep."},{"issue":"3","key":"93121_CR88","doi-asserted-by":"publisher","first-page":"212","DOI":"10.1016\/j.yrtph.2005.12.002","volume":"44","author":"H Ikematsu","year":"2006","unstructured":"Ikematsu, H., Nakamura, K., Harashima, S., Fujii, K. & Fukutomi, N. Safety assessment of coenzyme Q10 (Kaneka Q10) in healthy subjects: a double-blind, randomized, placebo-controlled trial. Regul. Toxicol. Pharmacology: RTP. 44 (3), 212\u2013218. https:\/\/doi.org\/10.1016\/j.yrtph.2005.12.002 (2006).","journal-title":"Regul. Toxicol. Pharmacology: RTP"},{"issue":"7","key":"93121_CR89","doi-asserted-by":"publisher","first-page":"2011","DOI":"10.1089\/ars.2010.3603","volume":"15","author":"JK Yao","year":"2011","unstructured":"Yao, J. K. & Keshavan, M. S. Antioxidants, redox signaling, and pathophysiology in schizophrenia: an integrative view. Antioxid. Redox. Signal. 15 (7), 2011\u20132035. https:\/\/doi.org\/10.1089\/ars.2010.3603 (2011).","journal-title":"Antioxid. Redox. Signal."},{"key":"93121_CR90","doi-asserted-by":"crossref","unstructured":"Vafaee, F., Derakhshani, M., Ghasemzadeh Rahbardar, M. & Hosseinzadeh, H. Alpha-lipoic acid, as an effective agent against toxic elements: a review. Naunyn. Schmiedebergs Arch. Pharmacol., 1\u201328. (2024).","DOI":"10.1007\/s00210-024-03576-9"},{"issue":"3","key":"93121_CR91","doi-asserted-by":"publisher","first-page":"200","DOI":"10.1007\/s10930-019-09838-3","volume":"38","author":"H Nielsen","year":"2019","unstructured":"Nielsen, H., Tsirigos, K. D., Brunak, S. & von Heijne, G. A brief history of protein sorting prediction. Protein. J. 38 (3), 200\u2013216. https:\/\/doi.org\/10.1007\/s10930-019-09838-3 (2019).","journal-title":"Protein. J."},{"issue":"3","key":"93121_CR92","doi-asserted-by":"publisher","first-page":"451","DOI":"10.1016\/j.celrep.2017.03.071","volume":"19","author":"D Estoppey","year":"2017","unstructured":"Estoppey, D. et al. The natural product Cavinafungin selectively interferes with Zika and dengue virus replication by Inhibition of the host signal peptidase. Cell. Rep. 19 (3), 451\u2013460. https:\/\/doi.org\/10.1016\/j.celrep.2017.03.071 (2017).","journal-title":"Cell. Rep."},{"issue":"22","key":"93121_CR93","doi-asserted-by":"publisher","first-page":"12323","DOI":"10.1128\/JVI.01506-07","volume":"81","author":"M Oostra","year":"2007","unstructured":"Oostra, M. et al. Localization and membrane topology of coronavirus nonstructural protein 4: involvement of the early secretory pathway in replication. J. Virol. 81 (22), 12323\u201312336. https:\/\/doi.org\/10.1128\/JVI.01506-07 (2007).","journal-title":"J. Virol."},{"key":"93121_CR94","doi-asserted-by":"publisher","first-page":"e26067","DOI":"10.7554\/eLife.26067","volume":"6","author":"EL Snapp","year":"2017","unstructured":"Snapp, E. L. et al. Structure and topology around the cleavage site regulate post-translational cleavage of the HIV-1 gp160 signal peptide. eLife 6, e26067. https:\/\/doi.org\/10.7554\/eLife.26067 (2017).","journal-title":"eLife"},{"issue":"8","key":"93121_CR95","doi-asserted-by":"publisher","first-page":"e1003589","DOI":"10.1371\/journal.ppat.1003589","volume":"9","author":"R Suzuki","year":"2013","unstructured":"Suzuki, R. et al. Signal peptidase complex subunit 1 participates in the assembly of hepatitis C virus through an interaction with E2 and NS2. PLoS Pathog. 9 (8), e1003589. https:\/\/doi.org\/10.1371\/journal.ppat.1003589 (2013).","journal-title":"PLoS Pathog."},{"issue":"7610","key":"93121_CR96","doi-asserted-by":"publisher","first-page":"164","DOI":"10.1038\/nature18625","volume":"535","author":"R Zhang","year":"2016","unstructured":"Zhang, R. et al. A CRISPR screen defines a signal peptide processing pathway required by flaviviruses. Nature 535 (7610), 164\u2013168. https:\/\/doi.org\/10.1038\/nature18625 (2016).","journal-title":"Nature"},{"issue":"3","key":"93121_CR97","doi-asserted-by":"publisher","first-page":"667","DOI":"10.1007\/s10238-022-00871-8","volume":"23","author":"MA Barletta","year":"2023","unstructured":"Barletta, M. A. et al. Coenzyme Q10\u2009+\u2009alpha lipoic acid for chronic COVID syndrome. Clin. Experimental Med. 23 (3), 667\u2013678. https:\/\/doi.org\/10.1007\/s10238-022-00871-8 (2023).","journal-title":"Clin. Experimental Med."},{"key":"93121_CR98","doi-asserted-by":"publisher","first-page":"976","DOI":"10.1016\/j.ijbiomac.2021.07.167","volume":"187","author":"Y Xiong","year":"2021","unstructured":"Xiong, Y. et al. Flavonoids in Ampelopsis grossedentata as covalent inhibitors of SARS-CoV-2 3CLpro: Inhibition potentials, covalent binding sites and inhibitory mechanisms. Int. J. Biol. Macromol. 187, 976\u2013987. https:\/\/doi.org\/10.1016\/j.ijbiomac.2021.07.167 (2021).","journal-title":"Int. J. Biol. Macromol."},{"key":"93121_CR99","doi-asserted-by":"publisher","unstructured":"Yan, Y. M. et al. Discovery of anti-SARS-CoV-2 agents from 38 Chinese patent drugs toward respiratory diseases via Docking screening. Med. Plant. Biology. 2 (1). https:\/\/doi.org\/10.48130\/MPB-2023-0009 (2023).","DOI":"10.48130\/MPB-2023-0009"},{"key":"93121_CR100","doi-asserted-by":"crossref","unstructured":"Chen, S., Yang, Z., Sun, W., Tian, K., Sun, P.,\u2026 Wu, J. (2024). TMV-CP based rational design and discovery of \u03b1-Amide phosphate derivatives as anti plant viral agents. Bioorganic Chemistry, 147,107415. https:\/\/doi.org\/10.1016\/j.bioorg.2024.107415.","DOI":"10.1016\/j.bioorg.2024.107415"},{"key":"93121_CR101","doi-asserted-by":"crossref","unstructured":"Cao, D., Zhou, X., Guo, Q., Xiang, M., Bao, M., He, B.,\u2026 Mao, X. (2024). Unveiling the role of histone deacetylases in neurological diseases: focus on epilepsy. Biomarker Research, 12(1), 142. 10.1186\/s40364-024-00687-6.","DOI":"10.1186\/s40364-024-00687-6"},{"key":"93121_CR102","doi-asserted-by":"crossref","unstructured":"Liu, H., Tang, Y., Zhou, Q., Zhang, J., Li, X., Gu, H.,\u2026 Li, Y. (2024). The Interrelation of Blood Urea Nitrogen-to-Albumin Ratio with Three-Month Clinical Outcomes in Acute Ischemic Stroke Cases: A Secondary Analytical Exploration Derived from a Prospective Cohort Study. International Journal of General Medicine, 17, 5333\u20135347. 10.2147\/IJGM.S483505.","DOI":"10.2147\/IJGM.S483505"},{"key":"93121_CR103","doi-asserted-by":"crossref","unstructured":"Qi, Y., Si, Y., Du, S., Liang, J., Wang, K.,\u2026 Zheng, J. (2019). Recent advances in the chemical synthesis and semi-synthesis of poly-ubiquitin-based proteins and probes.Science China Chemistry, 62(3), 299\u2013312. 10.1007\/s11426-018-9401-8.","DOI":"10.1007\/s11426-018-9401-8"},{"issue":"8","key":"93121_CR104","doi-asserted-by":"publisher","first-page":"2390","DOI":"10.1016\/j.chempr.2024.06.004","volume":"10","author":"Y Qi","year":"2024","unstructured":"Qi, Y., Zheng, J. & Liu, L. Mirror-image protein and peptide drug discovery through mirror-image phage display. Chem 10 (8), 2390\u20132407. https:\/\/doi.org\/10.1016\/j.chempr.2024.06.004 (2024).","journal-title":"Chem"},{"key":"93121_CR105","doi-asserted-by":"publisher","first-page":"154796","DOI":"10.1016\/j.phymed.2023.154796","volume":"114","author":"YN Zhang","year":"2023","unstructured":"Zhang, Y. N. et al. Discovery and characterization of the covalent SARS-CoV-2 3CLpro inhibitors from Ginkgo biloba extract via integrating chemoproteomic and biochemical approaches. Phytomedicine: Int. J. Phytotherapy Phytopharmacology. 114, 154796. https:\/\/doi.org\/10.1016\/j.phymed.2023.154796 (2023).","journal-title":"Phytomedicine: Int. J. Phytotherapy Phytopharmacology"},{"issue":"6","key":"93121_CR106","doi-asserted-by":"publisher","first-page":"1137","DOI":"10.1016\/0006-2952(94)90150-3","volume":"48","author":"G Wagner","year":"1994","unstructured":"Wagner, G., Schuch, G., Akerboom, T. P. & Sies, H. Transport of Ebselen in plasma and its transfer to binding sites in the hepatocyte. Biochem. Pharmacol. 48 (6), 1137\u20131144. https:\/\/doi.org\/10.1016\/0006-2952(94)90150-3 (1994).","journal-title":"Biochem. Pharmacol."},{"issue":"7811","key":"93121_CR107","doi-asserted-by":"publisher","first-page":"289","DOI":"10.1038\/s41586-020-2223-y","volume":"582","author":"Z Jin","year":"2020","unstructured":"Jin, Z. et al. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature 582 (7811), 289\u2013293. https:\/\/doi.org\/10.1038\/s41586-020-2223-y (2020).","journal-title":"Nature"},{"key":"93121_CR108","doi-asserted-by":"publisher","first-page":"107","DOI":"10.1016\/j.jpsychires.2018.11.021","volume":"109","author":"F Martini","year":"2019","unstructured":"Martini, F. et al. A multifunctional compound Ebselen reverses memory impairment, apoptosis and oxidative stress in a mouse model of sporadic Alzheimer\u2019s disease. J. Psychiatr. Res. 109, 107\u2013117. https:\/\/doi.org\/10.1016\/j.jpsychires.2018.11.021 (2019).","journal-title":"J. Psychiatr. Res."},{"key":"93121_CR109","doi-asserted-by":"publisher","unstructured":"Zhang, J. et al. Discovery of anti-SARS-CoV-2 agents from commercially available flavor via Docking screening. Med. Plant. Biology. 2 (1). https:\/\/doi.org\/10.48130\/MPB-2023-0010 (2023).","DOI":"10.48130\/MPB-2023-0010"},{"key":"93121_CR110","doi-asserted-by":"publisher","unstructured":"Esmail, S. & Manolson, M. F. Advances in understanding N-glycosylation structure, function, and regulation in health and disease. European journal of cell biology, 100(7\u20138), 151186. (2021). https:\/\/doi.org\/10.1016\/j.ejcb.2021.151186","DOI":"10.1016\/j.ejcb.2021.151186"}],"container-title":["Scientific Reports"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-93121-2.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-93121-2","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-93121-2.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,7,8]],"date-time":"2025-07-08T04:01:41Z","timestamp":1751947301000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/s41598-025-93121-2"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,7,8]]},"references-count":110,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2025,12]]}},"alternative-id":["93121"],"URL":"https:\/\/doi.org\/10.1038\/s41598-025-93121-2","relation":{},"ISSN":["2045-2322"],"issn-type":[{"value":"2045-2322","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,7,8]]},"assertion":[{"value":"20 November 2024","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"4 March 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"8 July 2025","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare no competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"24386"}}