{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,20]],"date-time":"2026-04-20T12:56:55Z","timestamp":1776689815009,"version":"3.51.2"},"reference-count":48,"publisher":"Springer Science and Business Media LLC","issue":"4","license":[{"start":{"date-parts":[[2023,2,8]],"date-time":"2023-02-08T00:00:00Z","timestamp":1675814400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2023,2,8]],"date-time":"2023-02-08T00:00:00Z","timestamp":1675814400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"funder":[{"name":"Lembaga Koko Malaysia","award":["RDU 210710"],"award-info":[{"award-number":["RDU 210710"]}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Mol Biotechnol"],"published-print":{"date-parts":[[2024,4]]},"DOI":"10.1007\/s12033-023-00667-5","type":"journal-article","created":{"date-parts":[[2023,2,8]],"date-time":"2023-02-08T23:36:03Z","timestamp":1675899363000},"page":"696-706","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":20,"title":["Identification of Pyrazole Derivatives of Usnic Acid as Novel Inhibitor of SARS-CoV-2 Main Protease Through Virtual Screening Approaches"],"prefix":"10.1007","volume":"66","author":[{"given":"Miah","family":"Roney","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Gagandeep","family":"Singh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9437-9821","authenticated-orcid":false,"given":"A. K. M. Moyeenul","family":"Huq","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Md Shaekh","family":"Forid","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wan Maznah Binti Wan","family":"Ishak","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kamal","family":"Rullah","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohd Fadhlizil Fasihi Mohd","family":"Aluwi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Saiful Nizam","family":"Tajuddin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2023,2,8]]},"reference":[{"issue":"1","key":"667_CR1","doi-asserted-by":"publisher","first-page":"2000115","DOI":"10.1002\/minf.202000115","volume":"40","author":"CN Cavasotto","year":"2021","unstructured":"Cavasotto, C. N., & Di Filippo, J. I. (2021). In silico drug repurposing for COVID-19: targeting SARS-CoV-2 proteins through docking and consensus ranking. Molecular Informatics, 40(1), 2000115.","journal-title":"Molecular Informatics"},{"key":"667_CR2","doi-asserted-by":"publisher","first-page":"264","DOI":"10.1016\/j.ijid.2020.01.009","volume":"91","author":"DS Hui","year":"2020","unstructured":"Hui, D. S., Azhar, E. I., Madani, T. A., Ntoumi, F., Kock, R., Dar, O., & Petersen, E. (2020). The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health\u2014The latest 2019 novel coronavirus outbreak in Wuhan, China. International Journal of Infectious Diseases, 91, 264\u2013266.","journal-title":"International Journal of Infectious Diseases"},{"issue":"6489","key":"667_CR3","doi-asserted-by":"publisher","first-page":"409","DOI":"10.1126\/science.abb3405","volume":"368","author":"L Zhang","year":"2020","unstructured":"Zhang, L., Lin, D., Sun, X., Curth, U., Drosten, C., Sauerhering, L., & Hilgenfeld, R. (2020). Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved \u03b1-ketoamide inhibitors. Science, 368(6489), 409\u2013412.","journal-title":"Science"},{"issue":"5","key":"667_CR4","first-page":"2179","volume":"33","author":"MH Shalayel","year":"2020","unstructured":"Shalayel, M. H., Al-Mazaideh, G. M., Aladaileh, S. H., Al-Swailmi, F. K., & Al-Thiabat, M. G. (2020). Vitamin D is a potential inhibitor of COVID-19: In silico molecular docking to the binding site of SARS-CoV-2 endoribonuclease Nsp15. Pakistan Journal of Pharmaceutical Sciences, 33(5), 2179\u20132186.","journal-title":"Pakistan Journal of Pharmaceutical Sciences"},{"issue":"7","key":"667_CR5","doi-asserted-by":"publisher","first-page":"1596","DOI":"10.1002\/pro.3873","volume":"29","author":"Y Kim","year":"2020","unstructured":"Kim, Y., Jedrzejczak, R., Maltseva, N. I., Wilamowski, M., Endres, M., Godzik, A., & Joachimiak, A. (2020). Crystal structure of Nsp15 endoribonuclease NendoU from SARS-CoV-2. Protein Science, 29(7), 1596\u20131605.","journal-title":"Protein Science"},{"issue":"4","key":"667_CR6","doi-asserted-by":"publisher","first-page":"821","DOI":"10.3390\/cells10040821","volume":"10","author":"R Yadav","year":"2021","unstructured":"Yadav, R., Chaudhary, J. K., Jain, N., Chaudhary, P. K., Khanra, S., Dhamija, P., & Handu, S. (2021). Role of structural and non-structural proteins and therapeutic targets of SARS-CoV-2 for COVID-19. Cells, 10(4), 821.","journal-title":"Cells"},{"key":"667_CR7","doi-asserted-by":"publisher","first-page":"315","DOI":"10.1021\/acscentsci.0c00272","volume":"6","author":"C Liu","year":"2020","unstructured":"Liu, C., Zhou, Q., Li, Y., Garner, L. V., Watkins, S. P., Carter, L. J., & Albaiu, D. (2020). Research and development on therapeutic agents and vaccines for COVID-19 and related human coronavirus diseases. ACS Central Science, 6, 315\u2013331.","journal-title":"ACS Central Science"},{"issue":"8","key":"667_CR8","first-page":"4529","volume":"24","author":"T Joshi","year":"2020","unstructured":"Joshi, T., Joshi, T., Sharma, P., Mathpal, S., Pundir, H., Bhatt, V., & Chandra, S. (2020). In silico screening of natural compounds against COVID-19 by targeting Mpro and ACE2 using molecular docking. European Review of Medical Pharmacological Science, 24(8), 4529\u20134536.","journal-title":"European Review of Medical Pharmacological Science"},{"key":"667_CR9","unstructured":"World Health Organization. Naming the coronavirus disease (COVID-19) and the virus that causes it. https:\/\/www.who.int\/emergencies\/diseases\/novel-coronavirus-2019\/technicalguidance\/naming-the-corona virus-disease-(covid-2019)-and-the-virus-that-causes-it. Accessed on Aug 25, 2022."},{"issue":"2","key":"667_CR10","doi-asserted-by":"publisher","first-page":"696","DOI":"10.1080\/07391102.2020.1817787","volume":"40","author":"R Majumder","year":"2022","unstructured":"Majumder, R., & Mandal, M. (2022). Screening of plant-based natural compounds as a potential COVID-19 main protease inhibitor: An in silico docking and molecular dynamics simulation approach. Journal of Biomolecular Structure and Dynamics, 40(2), 696\u2013711.","journal-title":"Journal of Biomolecular Structure and Dynamics"},{"key":"667_CR11","unstructured":"https:\/\/www.worldometers.info\/coronavirus\/"},{"issue":"2","key":"667_CR12","doi-asserted-by":"publisher","first-page":"e18","DOI":"10.1016\/S2213-2600(22)00011-X","volume":"10","author":"TK Burki","year":"2022","unstructured":"Burki, T. K. (2022). The role of antiviral treatment in the COVID-19 pandemic. The Lancet Respiratory Medicine, 10(2), e18.","journal-title":"The Lancet Respiratory Medicine"},{"key":"667_CR13","doi-asserted-by":"publisher","first-page":"103936","DOI":"10.1016\/j.compbiomed.2020.103936","volume":"124","author":"S Vardhan","year":"2020","unstructured":"Vardhan, S., & Sahoo, S. K. (2020). In silico ADMET and molecular docking study on searching potential inhibitors from limonoids and triterpenoids for COVID-19. Computers in Biology and Medicine, 124, 103936.","journal-title":"Computers in Biology and Medicine"},{"key":"667_CR14","doi-asserted-by":"publisher","first-page":"104772","DOI":"10.1016\/j.bioorg.2021.104772","volume":"110","author":"A Ali","year":"2021","unstructured":"Ali, A., Sepay, N., Afzal, M., Sepay, N., Alarifi, A., Shahid, M., & Ahmad, M. (2021). Molecular designing, crystal structure determination and in silico screening of copper (II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19. Bioorganic Chemistry, 110, 104772.","journal-title":"Bioorganic Chemistry"},{"issue":"8","key":"667_CR15","doi-asserted-by":"publisher","first-page":"e07816","DOI":"10.1016\/j.heliyon.2021.e07816","volume":"7","author":"AS Antonio","year":"2021","unstructured":"Antonio, A. S., Wiedemann, L. S. M., Galante, E. B. F., Guimar\u00e3es, A. C., Matharu, A. S., & Veiga-Junior, V. F. (2021). Efficacy and sustainability of natural products in COVID-19 treatment development: Opportunities and challenges in using agro-industrial waste from Citrus and apple. Heliyon, 7(8), e07816.","journal-title":"Heliyon"},{"issue":"1","key":"667_CR16","doi-asserted-by":"publisher","first-page":"e000806","DOI":"10.1136\/bmjresp-2020-000806","volume":"8","author":"I Gyselinck","year":"2021","unstructured":"Gyselinck, I., Janssens, W., Verhamme, P., & Vos, R. (2021). Rationale for azithromycin in COVID-19: An overview of existing evidence. BMJ Open Respiratory Research, 8(1), e000806.","journal-title":"BMJ Open Respiratory Research"},{"issue":"sup1","key":"667_CR17","doi-asserted-by":"publisher","first-page":"8","DOI":"10.1076\/phbi.39.s1.8.0009","volume":"39","author":"GM Cragg","year":"2001","unstructured":"Cragg, G. M., & Newman, D. J. (2001). Natural product drug discovery in the next millennium. Pharmaceutical Biology, 39(sup1), 8\u201317.","journal-title":"Pharmaceutical Biology"},{"issue":"25","key":"667_CR18","doi-asserted-by":"publisher","first-page":"2487","DOI":"10.2174\/1385272822666181109110813","volume":"22","author":"BB Basnet","year":"2018","unstructured":"Basnet, B. B., Liu, H., Liu, L., & Suleimen, Y. M. (2018). Diversity of anticancer and antimicrobial compounds from lichens and lichen-derived fungi: A systematic review (1985\u20132017). Current Organic Chemistry, 22(25), 2487\u20132500.","journal-title":"Current Organic Chemistry"},{"issue":"6","key":"667_CR19","first-page":"1","volume":"6","author":"S Bhattacharyya","year":"2016","unstructured":"Bhattacharyya, S., Deep, P. R., Singh, S., & Nayak, B. (2016). Lichen secondary metabolites and its biological activity. American Journal of PharmTech Research, 6(6), 1\u20137.","journal-title":"American Journal of PharmTech Research"},{"issue":"1","key":"667_CR20","doi-asserted-by":"publisher","first-page":"1","DOI":"10.3109\/13880209.2014.1003354","volume":"54","author":"C Fern\u00e1ndez-Moriano","year":"2016","unstructured":"Fern\u00e1ndez-Moriano, C., G\u00f3mez-Serranillos, M. P., & Crespo, A. (2016). Antioxidant potential of lichen species and their secondary metabolites: A systematic review. Pharmaceutical Biology, 54(1), 1\u201317.","journal-title":"Pharmaceutical Biology"},{"issue":"12","key":"667_CR21","doi-asserted-by":"publisher","first-page":"3544","DOI":"10.1080\/07391102.2019.1664328","volume":"38","author":"T Joshi","year":"2020","unstructured":"Joshi, T., Sharma, P., Joshi, T., & Chandra, S. (2020). In silico screening of anti-inflammatory compounds from Lichen by targeting cyclooxygenase-2. Journal of Biomolecular Structure and Dynamics, 38(12), 3544\u20133562.","journal-title":"Journal of Biomolecular Structure and Dynamics"},{"issue":"4","key":"667_CR22","first-page":"97","volume":"9","author":"B Sahoo","year":"2021","unstructured":"Sahoo, B., Dash, S., Parida, S., Sahu, J. K., & Rath, B. (2021). Antimicrobial activity of the lichens Parmotrema andium and Dirinaria applanata. Journal of Applied Biology and Biotechnology, 9(4), 97.","journal-title":"Journal of Applied Biology and Biotechnology"},{"issue":"4","key":"667_CR23","doi-asserted-by":"publisher","first-page":"1","DOI":"10.9734\/JSRR\/2018\/39899","volume":"18","author":"T Van Cuong","year":"2018","unstructured":"Van Cuong, T., & Thoa, N. T. (2018). Bioactive compounds from lichens as promising biomaterial for the treatment of influenza virus: A. Journal of Scientific Research & Reports, 18(4), 1\u201315.","journal-title":"Journal of Scientific Research & Reports"},{"issue":"23","key":"667_CR24","doi-asserted-by":"publisher","first-page":"7060","DOI":"10.1016\/j.bmcl.2012.09.084","volume":"22","author":"DN Sokolov","year":"2012","unstructured":"Sokolov, D. N., Zarubaev, V. V., Shtro, A. A., Polovinka, M. P., Luzina, O. A., Komarova, N. I., & Kiselev, O. I. (2012). Antiviral activity of (\u2212)-and (+)-usnic acids and their derivatives against influenza virus A (H1N1) 2009. Bioorganic & Medicinal Chemistry Letters, 22(23), 7060\u20137064.","journal-title":"Bioorganic & Medicinal Chemistry Letters"},{"issue":"6","key":"667_CR25","doi-asserted-by":"publisher","first-page":"477","DOI":"10.1080\/13543776.2018.1472239","volume":"28","author":"OA Luzina","year":"2018","unstructured":"Luzina, O. A., & Salakhutdinov, N. F. (2018). Usnic acid and its derivatives for pharmaceutical use: A patent review (2000\u20132017). Expert Opinion on Therapeutic Patents, 28(6), 477\u2013491.","journal-title":"Expert Opinion on Therapeutic Patents"},{"issue":"24","key":"667_CR26","doi-asserted-by":"publisher","first-page":"6826","DOI":"10.1016\/j.bmc.2014.10.033","volume":"22","author":"AA Shtro","year":"2014","unstructured":"Shtro, A. A., Zarubaev, V. V., Luzina, O. A., Sokolov, D. N., Kiselev, O. I., & Salakhutdinov, N. F. (2014). Novel derivatives of usnic acid effectively inhibiting reproduction of influenza A virus. Bioorganic & Medicinal Chemistry, 22(24), 6826\u20136836.","journal-title":"Bioorganic & Medicinal Chemistry"},{"issue":"3","key":"667_CR27","doi-asserted-by":"publisher","first-page":"17","DOI":"10.15446\/rev.colomb.quim.v46n3.61980","volume":"46","author":"M Barrera Tomas","year":"2017","unstructured":"Barrera Tomas, M., Tomas Chota, G. E., Sheen Cortavarr\u00eda, P., Fuentes Bonilla, P., Inocente Camones, M. A., & Contreras, J. S. (2017). Synthesis of acyl-hydrazone from usnic acid and isoniazid and its anti-Mycobacterium tuberculosis activity. Revista Colombiana de Qu\u00edmica, 46(3), 17\u201321.","journal-title":"Revista Colombiana de Qu\u00edmica"},{"issue":"23","key":"667_CR28","doi-asserted-by":"publisher","first-page":"2167","DOI":"10.1080\/14786419.2015.1007455","volume":"29","author":"AAS Ara\u00fajo","year":"2015","unstructured":"Ara\u00fajo, A. A. S., De Melo, M. G. D., Rabelo, T. K., Nunes, P. S., Santos, S. L., Serafini, M. R., & Gelain, D. P. (2015). Review of the biological properties and toxicity of usnic acid. Natural Product Research, 29(23), 2167\u20132180.","journal-title":"Natural Product Research"},{"issue":"3\u20134","key":"667_CR29","doi-asserted-by":"publisher","first-page":"92","DOI":"10.1177\/2040206616636992","volume":"24","author":"AA Shtro","year":"2015","unstructured":"Shtro, A. A., Zarubaev, V. V., Luzina, O. A., Sokolov, D. N., & Salakhutdinov, N. F. (2015). Derivatives of usnic acid inhibit broad range of influenza viruses and protect mice from lethal influenza infection. Antiviral Chemistry and Chemotherapy, 24(3\u20134), 92\u201398.","journal-title":"Antiviral Chemistry and Chemotherapy"},{"issue":"16","key":"667_CR30","doi-asserted-by":"publisher","first-page":"3476","DOI":"10.3390\/ma13163476","volume":"13","author":"P Snetkov","year":"2020","unstructured":"Snetkov, P., Morozkina, S., Olekhnovich, R., Vu, T. H. N., Tyanutova, M., & Uspenskaya, M. (2020). Curcumin\/usnic acid-loaded electrospun nanofibers based on hyaluronic acid. Materials, 13(16), 3476.","journal-title":"Materials"},{"issue":"11","key":"667_CR31","doi-asserted-by":"publisher","first-page":"1380","DOI":"10.1021\/jm00197a019","volume":"22","author":"M Takai","year":"1979","unstructured":"Takai, M., Uehara, Y., & Beisler, J. A. (1979). Usnic acid derivatives as potential antineoplastic agents. Journal of Medicinal Chemistry, 22(11), 1380\u20131384.","journal-title":"Journal of Medicinal Chemistry"},{"key":"667_CR32","doi-asserted-by":"publisher","first-page":"130506","DOI":"10.1016\/j.molstruc.2021.130506","volume":"1240","author":"G Prateeksha","year":"2021","unstructured":"Prateeksha, G., Rana, T. S., Asthana, A. K., Singh, B. N., & Barik, S. K. (2021). Screening of cryptogamic secondary metabolites as putative inhibitors of SARS-CoV-2 main protease and ribosomal binding domain of spike glycoprotein by molecular docking and molecular dynamics approaches. Journal of Molecular Structure, 1240, 130506.","journal-title":"Journal of Molecular Structure"},{"issue":"9","key":"667_CR33","doi-asserted-by":"publisher","first-page":"4066","DOI":"10.1021\/acs.jmedchem.5b00104","volume":"58","author":"DE Pires","year":"2015","unstructured":"Pires, D. E., Blundell, T. L., & Ascher, D. B. (2015). pkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. Journal of Medicinal Chemistry, 58(9), 4066\u20134072.","journal-title":"Journal of Medicinal Chemistry"},{"issue":"6497","key":"667_CR34","doi-asserted-by":"publisher","first-page":"1331","DOI":"10.1126\/science.abb4489","volume":"368","author":"W Dai","year":"2020","unstructured":"Dai, W., Zhang, B., Jiang, X. M., Su, H., Li, J., Zhao, Y., & Liu, H. (2020). Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease. Science, 368(6497), 1331\u20131335.","journal-title":"Science"},{"issue":"3","key":"667_CR35","doi-asserted-by":"publisher","first-page":"1827","DOI":"10.1007\/s11030-020-10166-3","volume":"25","author":"S Amin","year":"2021","unstructured":"Amin, S., Banerjee, S., Singh, S., Qureshi, I. A., Gayen, S., & Jha, T. (2021). First structure\u2013activity relationship analysis of SARS-CoV-2 virus main protease (Mpro) inhibitors: An endeavor on COVID-19 drug discovery. Molecular Diversity, 25(3), 1827\u20131838.","journal-title":"Molecular Diversity"},{"issue":"30","key":"667_CR36","doi-asserted-by":"publisher","first-page":"8395","DOI":"10.1021\/acs.jpcb.1c03294","volume":"125","author":"PM Mishra","year":"2021","unstructured":"Mishra, P. M., & Nandi, C. K. (2021). Structural Decoding of a Small Molecular Inhibitor on the Binding of SARS-CoV-2 to the ACE 2 Receptor. The Journal of Physical Chemistry B, 125(30), 8395\u20138405.","journal-title":"The Journal of Physical Chemistry B"},{"key":"667_CR37","doi-asserted-by":"publisher","first-page":"173836","DOI":"10.1016\/j.ejphar.2020.173836","volume":"894","author":"AK Padhi","year":"2021","unstructured":"Padhi, A. K., Seal, A., Khan, J. M., Ahamed, M., & Tripathi, T. (2021). Unraveling the mechanism of arbidol binding and inhibition of SARS-CoV-2: Insights from atomistic simulations. European Journal of Pharmacology, 894, 173836.","journal-title":"European Journal of Pharmacology"},{"issue":"1","key":"667_CR38","doi-asserted-by":"publisher","first-page":"138","DOI":"10.1038\/s41401-019-0228-6","volume":"41","author":"Y Liu","year":"2020","unstructured":"Liu, Y., Grimm, M., Dai, W. T., Hou, M. C., Xiao, Z. X., & Cao, Y. (2020). CB-Dock: A web server for cavity detection-guided protein\u2013ligand blind docking. Acta Pharmacologica Sinica, 41(1), 138\u2013144.","journal-title":"Acta Pharmacologica Sinica"},{"issue":"4","key":"667_CR39","doi-asserted-by":"publisher","first-page":"2616","DOI":"10.1021\/acs.jctc.1c01208","volume":"18","author":"DJ Huggins","year":"2022","unstructured":"Huggins, D. J. (2022). Comparing the performance of different AMBER protein forcefields, partial charge assignments, and water models for absolute binding free energy calculations. Journal of Chemical Theory and Computation, 18(4), 2616\u20132630.","journal-title":"Journal of Chemical Theory and Computation"},{"key":"667_CR40","doi-asserted-by":"publisher","first-page":"110094","DOI":"10.1016\/j.jtbi.2019.110094","volume":"486","author":"V Bhardwaj","year":"2020","unstructured":"Bhardwaj, V., Singh, R., Singh, P., Purohit, R., & Kumar, S. (2020). Elimination of bitter-off taste of stevioside through structure modification and computational interventions. Journal of Theoretical Biology, 486, 110094.","journal-title":"Journal of Theoretical Biology"},{"key":"667_CR41","doi-asserted-by":"publisher","first-page":"107322","DOI":"10.1016\/j.compbiolchem.2020.107322","volume":"87","author":"LP Kagami","year":"2020","unstructured":"Kagami, L. P., das Neves, G. M., Timmers, L. F. S. M., Caceres, R. A., & Eifler-Lima, V. L. (2020). Geo-Measures: A PyMOL plugin for protein structure ensembles analysis. Computational Biology and Chemistry, 87, 107322.","journal-title":"Computational Biology and Chemistry"},{"issue":"2","key":"667_CR42","doi-asserted-by":"publisher","first-page":"102","DOI":"10.4103\/0019-5359.30351","volume":"61","author":"K Bhupinder Singh","year":"2007","unstructured":"Bhupinder Singh, K. (2007). Practitioners section-Cytochrome P450 enzyme isoforms and their therapeutic implications: An update. Indian Journal of Medical Sciences, 61(2), 102\u2013116.","journal-title":"Indian Journal of Medical Sciences"},{"issue":"25","key":"667_CR43","doi-asserted-by":"publisher","first-page":"22160","DOI":"10.1074\/jbc.M110.205948","volume":"286","author":"EC Gianulis","year":"2011","unstructured":"Gianulis, E. C., & Trudeau, M. C. (2011). Rescue of aberrant gating by a genetically encoded PAS (Per-Arnt-Sim) domain in several long QT syndrome mutant human ether-a-go-go-related gene potassium channels. Journal of Biological Chemistry, 286(25), 22160\u201322169.","journal-title":"Journal of Biological Chemistry"},{"issue":"12","key":"667_CR44","doi-asserted-by":"publisher","first-page":"e0208321","DOI":"10.1371\/journal.pone.0208321","volume":"13","author":"AS Aromolaran","year":"2018","unstructured":"Aromolaran, A. S., Srivastava, U., Al\u00ed, A., Chahine, M., Lazaro, D., El-Sherif, N., & Boutjdir, M. (2018). Interleukin-6 inhibition of hERG underlies risk for acquired long QT in cardiac and systemic inflammation. PLoS ONE, 13(12), e0208321.","journal-title":"PLoS ONE"},{"issue":"12","key":"667_CR45","doi-asserted-by":"publisher","first-page":"1034","DOI":"10.1038\/nrd2112","volume":"5","author":"S Nattel","year":"2006","unstructured":"Nattel, S., & Carlsson, L. (2006). Innovative approaches to anti-arrhythmic drug therapy. Nature Reviews Drug Discovery, 5(12), 1034\u20131049.","journal-title":"Nature Reviews Drug Discovery"},{"issue":"10","key":"667_CR46","doi-asserted-by":"publisher","first-page":"3449","DOI":"10.1080\/07391102.2020.1766572","volume":"39","author":"VK Bhardwaj","year":"2020","unstructured":"Bhardwaj, V. K., Singh, R., Sharma, J., Rajendran, V., Purohit, R., & Kumar, S. (2020). Identification of bioactive molecules from Tea plant as SARS-CoV-2 main protease inhibitors. Journal of Biomolecular Structure and Dynamics, 39(10), 3449\u20133458.","journal-title":"Journal of Biomolecular Structure and Dynamics"},{"key":"667_CR47","doi-asserted-by":"publisher","first-page":"102790","DOI":"10.1016\/j.jbc.2022.102790","volume":"299","author":"K Al Adem","year":"2022","unstructured":"Al Adem, K., Ferreira, J. C., Fadl, S., & Rabeh, W. M. (2022). pH profiles of 3-chymotrypsin-like protease (3CLpro) from SARS-CoV-2 elucidate its catalytic mechanism and a histidine residue critical for activity. Journal of Biological Chemistry, 299, 102790.","journal-title":"Journal of Biological Chemistry"},{"issue":"1","key":"667_CR48","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1038\/s41598-021-86471-0","volume":"11","author":"YL Weng","year":"2021","unstructured":"Weng, Y. L., Naik, S. R., Dingelstad, N., Lugo, M. R., Kalyaanamoorthy, S., & Ganesan, A. (2021). Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity. Scientific Reports, 11(1), 1\u201322.","journal-title":"Scientific Reports"}],"container-title":["Molecular Biotechnology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s12033-023-00667-5.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s12033-023-00667-5\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s12033-023-00667-5.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,24]],"date-time":"2024-04-24T12:12:38Z","timestamp":1713960758000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s12033-023-00667-5"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,2,8]]},"references-count":48,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2024,4]]}},"alternative-id":["667"],"URL":"https:\/\/doi.org\/10.1007\/s12033-023-00667-5","relation":{},"ISSN":["1073-6085","1559-0305"],"issn-type":[{"value":"1073-6085","type":"print"},{"value":"1559-0305","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,2,8]]},"assertion":[{"value":"30 August 2022","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"12 January 2023","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"8 February 2023","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 have no conflict of interest.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Conflict of interest"}},{"value":"This content has been made available to all.","name":"free","label":"Free to read"}]}}