{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T12:05:43Z","timestamp":1779537943710,"version":"3.53.1"},"reference-count":47,"publisher":"Springer Science and Business Media LLC","issue":"3","license":[{"start":{"date-parts":[[2025,9,20]],"date-time":"2025-09-20T00:00:00Z","timestamp":1758326400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2025,9,20]],"date-time":"2025-09-20T00:00:00Z","timestamp":1758326400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["82204240"],"award-info":[{"award-number":["82204240"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007129","name":"Natural Science Foundation of Shandong Province","doi-asserted-by":"crossref","award":["ZR2023MB046"],"award-info":[{"award-number":["ZR2023MB046"]}],"id":[{"id":"10.13039\/501100007129","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Mol Divers"],"DOI":"10.1007\/s11030-025-11354-9","type":"journal-article","created":{"date-parts":[[2025,9,20]],"date-time":"2025-09-20T07:34:10Z","timestamp":1758353650000},"page":"4121-4136","update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Molecular docking-based design of novel tricyclic tetrahydropyridothienopyrimidinone derivatives as AChE\/MAO-B dual inhibitors"],"prefix":"10.1007","volume":"30","author":[{"given":"Juan","family":"Zhang","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yue","family":"Li","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jia-Dong","family":"Shao","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guo","family":"Wei","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nai-Yu","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kong-Kai","family":"Zhu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kai-Ming","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Cheng-Shi","family":"Jiang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jia-Hong","family":"Wang","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2025,9,20]]},"reference":[{"key":"11354_CR1","doi-asserted-by":"publisher","first-page":"5541","DOI":"10.2147\/IJN.S200490","volume":"14","author":"S Tiwari","year":"2019","unstructured":"Tiwari S, Atluri V, Kaushik A, Yndart A, Nair M (2019) Alzheimer\u2019s disease: pathogenesis, diagnostics, and therapeutics. Int J Nanomedicine 14:5541\u20135554. https:\/\/doi.org\/10.2147\/IJN.S200490","journal-title":"Int J Nanomedicine"},{"key":"11354_CR2","unstructured":"https:\/\/www.alzint.org\/about\/dementia-facts-figures\/dementia-statistics\/. Accessed 24 Mar 2025"},{"issue":"8","key":"11354_CR3","doi-asserted-by":"publisher","first-page":"591","DOI":"10.1089\/ars.2020.8134","volume":"34","author":"G Plascencia-Villa","year":"2021","unstructured":"Plascencia-Villa G, Perry G (2021) Preventive and therapeutic strategies in Alzheimer\u2019s disease: focus on oxidative stress, redox metals, and ferroptosis. Antioxid Redox Signal 34(8):591\u2013610. https:\/\/doi.org\/10.1089\/ars.2020.8134","journal-title":"Antioxid Redox Signal"},{"issue":"4","key":"11354_CR4","doi-asserted-by":"publisher","first-page":"1027","DOI":"10.1016\/j.drudis.2022.01.016","volume":"27","author":"SA Tatulian","year":"2022","unstructured":"Tatulian SA (2022) Challenges and hopes for Alzheimer\u2019s disease. Drug Discov Today 27(4):1027\u20131043. https:\/\/doi.org\/10.1016\/j.drudis.2022.01.016","journal-title":"Drug Discov Today"},{"issue":"7","key":"11354_CR5","doi-asserted-by":"publisher","first-page":"5629","DOI":"10.1007\/s11033-021-06512-9","volume":"48","author":"T Athar","year":"2021","unstructured":"Athar T, Al Balushi K, Khan SA (2021) Recent advances on drug development and emerging therapeutic agents for Alzheimer\u2019s disease. Mol Biol Rep 48(7):5629\u20135645. https:\/\/doi.org\/10.1007\/s11033-021-06512-9","journal-title":"Mol Biol Rep"},{"key":"11354_CR6","doi-asserted-by":"publisher","first-page":"96","DOI":"10.1016\/j.ejphar.2015.10.037","volume":"768","author":"D He","year":"2015","unstructured":"He D, Wu H, Wei Y, Liu W, Huang F, Shi H, Zhang B, Wu X, Wang C (2015) Effects of harmine, an acetylcholinesterase inhibitor, on spatial learning and memory of APP\/PS1 transgenic mice and scopolamine-induced memory impairment mice. Eur J Pharmacol 768:96\u2013107. https:\/\/doi.org\/10.1016\/j.ejphar.2015.10.037","journal-title":"Eur J Pharmacol"},{"key":"11354_CR7","doi-asserted-by":"publisher","first-page":"40","DOI":"10.1016\/j.ejmech.2016.05.014","volume":"121","author":"S Ghanei-Nasab","year":"2016","unstructured":"Ghanei-Nasab S, Khoobi M, Hadizadeh F, Marjani A, Moradi A, Nadri H, Emami S, Foroumadi A, Shafiee A (2016) Synthesis and anticholinesterase activity of coumarin-3-carboxamides bearing tryptamine moiety. Eur J Med Chem 121:40\u201346. https:\/\/doi.org\/10.1016\/j.ejmech.2016.05.014","journal-title":"Eur J Med Chem"},{"issue":"12","key":"11354_CR8","doi-asserted-by":"publisher","first-page":"1487","DOI":"10.1002\/cbic.201800813","volume":"20","author":"R Shi","year":"2019","unstructured":"Shi R, Wu Q, Xin C, Yu H, Lim KL, Li X, Shi Z, Zhang CW, Qian L, Li L, Huang W (2019) Structure-based specific detection and inhibition of monoamine oxidases and their applications in central nervous system diseases. ChemBioChem 20(12):1487\u20131497. https:\/\/doi.org\/10.1002\/cbic.201800813","journal-title":"ChemBioChem"},{"key":"11354_CR9","doi-asserted-by":"publisher","first-page":"13","DOI":"10.1016\/B978-0-12-386467-3.00002-9","volume":"100","author":"M Bortolato","year":"2011","unstructured":"Bortolato M, Shih JC (2011) Behavioral outcomes of monoamine oxidase deficiency: preclinical and clinical evidence. Int Rev Neurobiol 100:13\u201342. https:\/\/doi.org\/10.1016\/B978-0-12-386467-3.00002-9","journal-title":"Int Rev Neurobiol"},{"key":"11354_CR10","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112475","volume":"202","author":"SS Xie","year":"2020","unstructured":"Xie SS, Liu J, Tang C, Pang C, Li Q, Qin Y, Nong X, Zhang Z, Guo J, Cheng M, Tang W, Liang N, Jiang N (2020) Design, synthesis and biological evaluation of rasagiline-clorgyline hybrids as novel dual inhibitors of monoamine oxidase-B and amyloid-\u03b2 aggregation against Alzheimer\u2019s disease. Eur J Med Chem 202:112475. https:\/\/doi.org\/10.1016\/j.ejmech.2020.112475","journal-title":"Eur J Med Chem"},{"key":"11354_CR11","doi-asserted-by":"publisher","first-page":"745","DOI":"10.1016\/j.ejmech.2013.01.039","volume":"62","author":"C Lu","year":"2013","unstructured":"Lu C, Zhou Q, Yan J, Du Z, Huang L, Li X (2013) A novel series of tacrine-selegiline hybrids with cholinesterase and monoamine oxidase inhibition activities for the treatment of Alzheimer\u2019s disease. Eur J Med Chem 62:745\u2013753. https:\/\/doi.org\/10.1016\/j.ejmech.2013.01.039","journal-title":"Eur J Med Chem"},{"issue":"13","key":"11354_CR12","doi-asserted-by":"publisher","first-page":"8735","DOI":"10.1074\/jbc.R113.544635","volume":"289","author":"H Sies","year":"2014","unstructured":"Sies H (2014) Role of metabolic H2O2 generation: redox signaling and oxidative stress. J Biol Chem 289(13):8735\u20138741. https:\/\/doi.org\/10.1074\/jbc.R113.544635","journal-title":"J Biol Chem"},{"issue":"6","key":"11354_CR13","doi-asserted-by":"publisher","first-page":"1916","DOI":"10.1016\/j.bmc.2014.01.046","volume":"22","author":"MD Mertens","year":"2014","unstructured":"Mertens MD, Hinz S, M\u00fcller CE, G\u00fctschow M (2014) Alkynyl-coumarinyl ethers as MAO-B inhibitors. Bioorg Med Chem 22(6):1916\u20131928. https:\/\/doi.org\/10.1016\/j.bmc.2014.01.046","journal-title":"Bioorg Med Chem"},{"issue":"5","key":"11354_CR14","doi-asserted-by":"publisher","first-page":"1603","DOI":"10.1002\/med.21561","volume":"39","author":"RKP Tripathi","year":"2019","unstructured":"Tripathi RKP, Ayyannan SR (2019) Monoamine oxidase-B inhibitors as potential neurotherapeutic agents: an overview and update. Med Res Rev 39(5):1603\u20131706. https:\/\/doi.org\/10.1002\/med.21561","journal-title":"Med Res Rev"},{"issue":"2","key":"11354_CR15","doi-asserted-by":"publisher","first-page":"343","DOI":"10.1016\/s0197-4580(00)00100-7","volume":"21","author":"T Thomas","year":"2000","unstructured":"Thomas T (2000) Monoamine oxidase-B inhibitors in the treatment of Alzheimer\u2019s disease. Neurobiol Aging 21(2):343\u2013348. https:\/\/doi.org\/10.1016\/s0197-4580(00)00100-7","journal-title":"Neurobiol Aging"},{"issue":"9","key":"11354_CR16","doi-asserted-by":"publisher","first-page":"879","DOI":"10.1080\/17460441.2019","volume":"14","author":"JF Gonz\u00e1lez","year":"2019","unstructured":"Gonz\u00e1lez JF, Alc\u00e1ntara AR, Doadrio AL, S\u00e1nchez-Montero JM (2019) Developments with multi-target drugs for Alzheimer\u2019s disease: an overview of the current discovery approaches. Expert Opin Drug Discov 14(9):879\u2013891. https:\/\/doi.org\/10.1080\/17460441.2019","journal-title":"Expert Opin Drug Discov"},{"issue":"11","key":"11354_CR17","doi-asserted-by":"publisher","DOI":"10.1002\/ardp.201900177","volume":"352","author":"B Mathew","year":"2019","unstructured":"Mathew B, Parambi DGT, Mathew GE, Uddin MS, Inasu ST, Kim H, Marathakam A, Unnikrishnan MK, Carradori S (2019) Emerging therapeutic potentials of dual-acting MAO and AChE inhibitors in Alzheimer\u2019s and Parkinson\u2019s diseases. Arch Pharm (Weinheim) 352(11):e1900177. https:\/\/doi.org\/10.1002\/ardp.201900177","journal-title":"Arch Pharm (Weinheim)"},{"issue":"9","key":"11354_CR18","doi-asserted-by":"publisher","DOI":"10.3390\/md16090293","volume":"16","author":"ZQ Cheng","year":"2018","unstructured":"Cheng ZQ, Song JL, Zhu K, Zhang J, Jiang CS, Zhang H (2018) Total synthesis of Pulmonarin B and design of brominated phenylacetic acid\/tacrine hybrids: marine pharmacophore inspired discovery of new ChE and A\u03b2 aggregation inhibitors. Mar Drugs 16(9):293. https:\/\/doi.org\/10.3390\/md16090293","journal-title":"Mar Drugs"},{"key":"11354_CR19","doi-asserted-by":"publisher","first-page":"277","DOI":"10.1016\/j.bioorg.2018.10.057","volume":"83","author":"ZQ Cheng","year":"2019","unstructured":"Cheng ZQ, Zhu KK, Zhang J, Song JL, Muehlmann LA, Jiang CS, Liu CL, Zhang H (2019) Molecular-docking-guided design and synthesis of new IAA-tacrine hybrids as multifunctional AChE\/BChE inhibitors. Bioorg Chem 83:277\u2013288. https:\/\/doi.org\/10.1016\/j.bioorg.2018.10.057","journal-title":"Bioorg Chem"},{"issue":"5","key":"11354_CR20","doi-asserted-by":"publisher","first-page":"521","DOI":"10.1007\/s10822-019-00202-2","volume":"33","author":"CS Jiang","year":"2019","unstructured":"Jiang CS, Ge YX, Cheng ZQ, Song JL, Wang YY, Zhu K, Zhang H (2019) Discovery of new multifunctional selective acetylcholinesterase inhibitors: structure-based virtual screening and biological evaluation. J Comput Aided Mol Des 33(5):521\u2013530. https:\/\/doi.org\/10.1007\/s10822-019-00202-2","journal-title":"J Comput Aided Mol Des"},{"issue":"2","key":"11354_CR21","doi-asserted-by":"publisher","first-page":"161","DOI":"10.1248\/cpb.c19-00927","volume":"68","author":"G Liu","year":"2020","unstructured":"Liu G, Jiao Y, Lin Y, Hao H, Dou Y, Yang J, Jiang CS, Chang P (2020) Discovery and biological evaluation of new selective acetylcholinesterase inhibitors with anti-A\u03b2 aggregation activity through molecular docking-based virtual screening. Chem Pharm Bull (Tokyo) 68(2):161\u2013166. https:\/\/doi.org\/10.1248\/cpb.c19-00927","journal-title":"Chem Pharm Bull (Tokyo)"},{"key":"11354_CR22","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112935","volume":"209","author":"Z Yang","year":"2021","unstructured":"Yang Z, Huang X, Lai W, Tang Y, Liu J, Wang Y, Chu K, Brown J, Hong G (2021) Synthesis and identification of a novel derivative of salidroside as a selective, competitive inhibitor of monoamine oxidase B with enhanced neuroprotective properties. Eur J Med Chem 209:112935. https:\/\/doi.org\/10.1016\/j.ejmech.2020.112935","journal-title":"Eur J Med Chem"},{"key":"11354_CR23","doi-asserted-by":"publisher","first-page":"625","DOI":"10.1007\/s00044-024-03367-0","volume":"34","author":"J Zhang","year":"2025","unstructured":"Zhang J, Zhu KK, Wang KM, Jiang CS (2025) Design, synthesis, and neuroprotective activity of salidroside-based dual inhibitors of selective monoamine oxidase B and amyloid-\u03b2 aggregation. Med Chem Res 34:625\u2013637. https:\/\/doi.org\/10.1007\/s00044-024-03367-0","journal-title":"Med Chem Res"},{"key":"11354_CR24","doi-asserted-by":"publisher","first-page":"10","DOI":"10.1016\/j.abb.2018.06.009","volume":"653","author":"GA Grant","year":"2018","unstructured":"Grant GA (2018) The many faces of partial inhibition: revealing imposters with graphical analysis. Arch Biochem Biophys 653:10\u201323. https:\/\/doi.org\/10.1016\/j.abb.2018.06.009","journal-title":"Arch Biochem Biophys"},{"issue":"3","key":"11354_CR25","doi-asserted-by":"publisher","first-page":"221","DOI":"10.1007\/s10822-013-9644-8","volume":"27","author":"GM Sastry","year":"2013","unstructured":"Sastry GM, Adzhigirey M, Day T, Annabhimoju R, Sherman W (2013) Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. J Comput Aided Mol Des 27(3):221\u2013234. https:\/\/doi.org\/10.1007\/s10822-013-9644-8","journal-title":"J Comput Aided Mol Des"},{"key":"11354_CR26","unstructured":"Protein Preparation Wizard 2023-3 (Schr\u00f6dinger, 2023)"},{"key":"11354_CR27","unstructured":"LigPrep 2023-3 (Schr\u00f6dinger, 2023)"},{"issue":"Web Server Issu","key":"11354_CR28","doi-asserted-by":"publisher","first-page":"W368","DOI":"10.1093\/nar\/gki464","volume":"33","author":"JC Gordon","year":"2005","unstructured":"Gordon JC, Myers JB, Folta T, Shoja V, Heath LS, Onufriev A (2005) H++: a server for estimating pKas and adding missing hydrogens to macromolecules. Nucleic Acids Res 33(Web Server Issue):W368\u2013W371. https:\/\/doi.org\/10.1093\/nar\/gki464","journal-title":"Nucleic Acids Res"},{"issue":"7","key":"11354_CR29","doi-asserted-by":"publisher","first-page":"1739","DOI":"10.1021\/jm0306430","volume":"47","author":"RA Friesner","year":"2004","unstructured":"Friesner RA, Banks JL, Murphy RB, Halgren TA, Klicic JJ, Mainz DT, Repasky MP, Knoll EH, Shelley M, Perry JK, Shaw DE, Francis P, Shenkin PS (2004) Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J Med Chem 47(7):1739\u20131749. https:\/\/doi.org\/10.1021\/jm0306430","journal-title":"J Med Chem"},{"key":"11354_CR30","unstructured":"Glide 2023-3 (Schr\u00f6dinger, 2023)"},{"issue":"9","key":"11354_CR31","doi-asserted-by":"publisher","first-page":"3878","DOI":"10.1021\/ct400314y","volume":"9","author":"R Salomon-Ferrer","year":"2013","unstructured":"Salomon-Ferrer R, G\u00f6tz AW, Poole D, Le Grand S, Walker RC (2013) Routine microsecond molecular dynamics simulations with AMBER on GPUs. 2. Explicit solvent particle mesh Ewald. J Chem Theory Comput 9(9):3878\u20133888. https:\/\/doi.org\/10.1021\/ct400314y","journal-title":"J Chem Theory Comput"},{"issue":"5","key":"11354_CR32","doi-asserted-by":"publisher","first-page":"1542","DOI":"10.1021\/ct200909j","volume":"8","author":"AW G\u00f6tz","year":"2012","unstructured":"G\u00f6tz AW, Williamson MJ, Xu D, Poole D, Le Grand S, Walker RC (2012) Routine microsecond molecular dynamics simulations with AMBER on GPUs. 1. Generalized born. J Chem Theory Comput 8(5):1542\u20131555. https:\/\/doi.org\/10.1021\/ct200909j","journal-title":"J Chem Theory Comput"},{"issue":"2","key":"11354_CR33","doi-asserted-by":"publisher","first-page":"374","DOI":"10.1016\/j.cpc.2012.09.022","volume":"184","author":"S Le Grand","year":"2013","unstructured":"Le Grand S, Goetz AW, Walker RC (2013) SPFP: Speed without compromise\u2014a mixed precision model for GPU accelerated molecular dynamics simulations. Comput Phys Commun 184(2):374\u2013380. https:\/\/doi.org\/10.1016\/j.cpc.2012.09.022","journal-title":"Comput Phys Commun"},{"issue":"Pt 1","key":"11354_CR34","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2024.132748","volume":"272","author":"S Zaib","year":"2024","unstructured":"Zaib S, Khan I, Ali HS, Younas MT, Ibrar A, Al-Odayni AB, Al-Kahtani AA (2024) Design and discovery of anthranilamide derivatives as a potential treatment for neurodegenerative disorders via targeting cholinesterases and monoamine oxidases. Int J Biol Macromol 272(Pt 1):132748. https:\/\/doi.org\/10.1016\/j.ijbiomac.2024.132748","journal-title":"Int J Biol Macromol"},{"key":"11354_CR35","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2024.116341","volume":"269","author":"J Zhang","year":"2024","unstructured":"Zhang J, Liu X, Sa N, Zhang JH, Cai YS, Wang KM, Xu W, Jiang CS, Zhu KK (2024) Synthesis and biological evaluation of 1-phenyl-tetrahydro-\u03b2-carboline-based first dual PRMT5\/EGFR inhibitors as potential anticancer agents. Eur J Med Chem 269:116341. https:\/\/doi.org\/10.1016\/j.ejmech.2024.116341","journal-title":"Eur J Med Chem"},{"issue":"3","key":"11354_CR36","doi-asserted-by":"publisher","first-page":"223","DOI":"10.1016\/s0223-5234(03)00012-6","volume":"38","author":"L Di","year":"2003","unstructured":"Di L, Kerns EH, Fan K, McConnell OJ, Carter GT (2003) High throughput artificial membrane permeability assay for blood-brain barrier. Eur J Med Chem 38(3):223\u2013232. https:\/\/doi.org\/10.1016\/s0223-5234(03)00012-6","journal-title":"Eur J Med Chem"},{"issue":"2","key":"11354_CR37","doi-asserted-by":"publisher","first-page":"146","DOI":"10.2174\/157340911795677602","volume":"7","author":"XY Meng","year":"2011","unstructured":"Meng XY, Zhang HX, Mezei M, Cui M (2011) Molecular docking: a powerful approach for structure-based drug discovery. Curr Comput Aided Drug Des 7(2):146\u2013157. https:\/\/doi.org\/10.2174\/157340911795677602","journal-title":"Curr Comput Aided Drug Des"},{"key":"11354_CR38","doi-asserted-by":"publisher","first-page":"165","DOI":"10.1016\/j.ejmech.2017.12.084","volume":"145","author":"R Azzouz","year":"2018","unstructured":"Azzouz R, Peauger L, Gembus V, \u0162\u00een\u0163a\u015f ML, Sopkov\u00e1-de Oliveira Santos J, Papamica\u00ebl C, Levacher V (2018) Novel donepezil-like N-benzylpyridinium salt derivatives as AChE inhibitors and their corresponding dihydropyridine \u201cbio-oxidizable\u201d prodrugs: Synthesis, biological evaluation and structure-activity relationship. Eur J Med Chem 145:165\u2013190. https:\/\/doi.org\/10.1016\/j.ejmech.2017.12.084","journal-title":"Eur J Med Chem"},{"key":"11354_CR39","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2021.105236","volume":"115","author":"HX Xie","year":"2021","unstructured":"Xie HX, Zhang J, Li Y, Zhang JH, Liu SK, Zhang J, Zheng H, Hao GZ, Zhu KK, Jiang CS (2021) Novel tetrahydrobenzo[b]thiophen-2-yl)urea derivatives as novel \u03b1-glucosidase inhibitors: synthesis, kinetics study, molecular docking, and in vivo anti-hyperglycemic evaluation. Bioorg Chem 115:105236. https:\/\/doi.org\/10.1016\/j.bioorg.2021.105236","journal-title":"Bioorg Chem"},{"key":"11354_CR40","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2020.112076","volume":"189","author":"M Yu","year":"2020","unstructured":"Yu M, Zeng M, Pan Z, Wu F, Guo L, He G (2020) Discovery of novel akt1 inhibitor induces autophagy associated death in hepatocellular carcinoma cells. Eur J Med Chem 189:112076. https:\/\/doi.org\/10.1016\/j.ejmech.2020.112076","journal-title":"Eur J Med Chem"},{"key":"11354_CR41","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2022.105606","volume":"120","author":"HX Xie","year":"2022","unstructured":"Xie HX, Wang YH, Zhang JH, Zhang J, Zhong YN, Ge YX, Cheng ZQ, Jiang CS, Meng N (2022) Design, synthesis and biological evaluation of marine phidianidine-inspired derivatives against oxidized ldl-induced endothelial injury by activating Nrf2 anti-oxidation pathway. Bioorg Chem 120:105606. https:\/\/doi.org\/10.1016\/j.bioorg.2022.105606","journal-title":"Bioorg Chem"},{"issue":"15","key":"11354_CR42","doi-asserted-by":"publisher","first-page":"4359","DOI":"10.1021\/jm800219f","volume":"51","author":"WK Hagmann","year":"2008","unstructured":"Hagmann WK (2008) The many roles for fluorine in medicinal chemistry. J Med Chem 51(15):4359\u20134369. https:\/\/doi.org\/10.1021\/jm800219f","journal-title":"J Med Chem"},{"issue":"5","key":"11354_CR43","doi-asserted-by":"publisher","first-page":"3962","DOI":"10.1021\/acs.jmedchem.1c01784","volume":"65","author":"M Rullo","year":"2022","unstructured":"Rullo M, Cipolloni M, Catto M, Colliva C, Miniero DV, Latronico T, de Candia M, Benicchi T, Linusson A, Giacch\u00e8 N, Altomare CD, Pisani L (2022) Probing fluorinated motifs onto dual AChE-MAO B inhibitors: rational design, synthesis, biological evaluation, and early-ADME studies. J Med Chem 65(5):3962\u20133977. https:\/\/doi.org\/10.1021\/acs.jmedchem.1c01784","journal-title":"J Med Chem"},{"issue":"12","key":"11354_CR44","doi-asserted-by":"publisher","DOI":"10.1002\/cbdv.202401849","volume":"21","author":"B Ak\u0131\u015f","year":"2024","unstructured":"Ak\u0131\u015f B, \u00c7akmak R, \u015eent\u00fcrk M (2024) New sulfonate ester-linked fluorinated hydrazone derivatives as multitarget carbonic anhydrase and cholinesterase inhibitors: design, synthesis, biological evaluation, molecular docking and ADME analysis. Chem Biodivers 21(12):e202401849. https:\/\/doi.org\/10.1002\/cbdv.202401849","journal-title":"Chem Biodivers"},{"key":"11354_CR45","doi-asserted-by":"publisher","DOI":"10.1016\/j.ejmech.2024.116523","volume":"273","author":"EU Mughal","year":"2024","unstructured":"Mughal EU, Hawsawi MB, Naeem N, Hassan A, Alluhaibi MS, Ali Shah SW, Nazir Y, Sadiq A, Alrafai HA, Ahmed SA (2024) Exploring fluorine-substituted piperidines as potential therapeutics for diabetes mellitus and Alzheimer\u2019s diseases. Eur J Med Chem 273:116523. https:\/\/doi.org\/10.1016\/j.ejmech.2024.116523","journal-title":"Eur J Med Chem"},{"key":"11354_CR46","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/j.ejmech.2017.07.045","volume":"139","author":"MC Costas-Lago","year":"2017","unstructured":"Costas-Lago MC, Besada P, Rodr\u00edguez-Enr\u00edquez F, Vi\u00f1a D, Vilar S, Uriarte E, Borges F, Ter\u00e1n C (2017) Synthesis and structure-activity relationship study of novel 3-heteroarylcoumarins based on pyridazine scaffold as selective MAO-B inhibitors. Eur J Med Chem 139:1\u201311. https:\/\/doi.org\/10.1016\/j.ejmech.2017.07.045","journal-title":"Eur J Med Chem"},{"key":"11354_CR47","doi-asserted-by":"publisher","DOI":"10.1016\/j.bioorg.2022.106168","volume":"129","author":"W Liu","year":"2022","unstructured":"Liu W, Tian L, Wu L, Chen H, Wang N, Liu X, Zhao C, Wu Z, Jiang X, Wu Q, Xu Z, Liu W, Zhao Q (2022) Discovery of novel \u03b2-carboline-1,2,3-triazole hybrids as AChE\/GSK-3\u03b2 dual inhibitors for Alzheimer\u2019s disease treatment. Bioorg Chem 129:106168. https:\/\/doi.org\/10.1016\/j.bioorg.2022.106168","journal-title":"Bioorg Chem"}],"container-title":["Molecular Diversity"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-025-11354-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s11030-025-11354-9","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s11030-025-11354-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,5,23]],"date-time":"2026-05-23T11:33:13Z","timestamp":1779535993000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s11030-025-11354-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,9,20]]},"references-count":47,"journal-issue":{"issue":"3","published-online":{"date-parts":[[2026,6]]}},"alternative-id":["11354"],"URL":"https:\/\/doi.org\/10.1007\/s11030-025-11354-9","relation":{},"ISSN":["1573-501X"],"issn-type":[{"value":"1573-501X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,9,20]]},"assertion":[{"value":"7 May 2025","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"1 September 2025","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"20 September 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":"We certify that there is no conflict of interest concerning this manuscript's publication in your journal.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Conflict of interest"}},{"value":"The authors are dedicated to adhering strictly to publication ethics.","order":3,"name":"Ethics","group":{"name":"EthicsHeading","label":"Ethical approval"}},{"value":"Not applicable.","order":4,"name":"Ethics","group":{"name":"EthicsHeading","label":"Consent for publication"}},{"value":"This article does not involve any studies with human or animal subjects by the authors.","order":5,"name":"Ethics","group":{"name":"EthicsHeading","label":"Research involving human and animal rights"}}]}}