{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,12]],"date-time":"2026-06-12T08:59:09Z","timestamp":1781254749618,"version":"3.54.1"},"reference-count":44,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,2,1]],"date-time":"2026-02-01T00:00:00Z","timestamp":1769904000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic & Medicinal Chemistry"],"published-print":{"date-parts":[[2026,2]]},"DOI":"10.1016\/j.bmc.2025.118488","type":"journal-article","created":{"date-parts":[[2025,11,21]],"date-time":"2025-11-21T02:49:13Z","timestamp":1763693353000},"page":"118488","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":1,"special_numbering":"C","title":["Repurposing the USFDA-approved small molecules for their affinity against the colchicine binding site (CBS) in the tubulin: Corroborating the in-silico findings through biological assessment"],"prefix":"10.1016","volume":"133","author":[{"given":"Kumar","family":"Rohit","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Bibekananda","family":"Sarkar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"8","key":"10.1016\/j.bmc.2025.118488_bb0005","doi-asserted-by":"crossref","first-page":"541","DOI":"10.1038\/s41580-022-00473-y","article-title":"Mechanisms of microtubule organization in differentiated animal cells","volume":"23","author":"Akhmanova","year":"2022","journal-title":"Nat. Rev. Mol. Cell Biol."},{"issue":"11","key":"10.1016\/j.bmc.2025.118488_bb0010","doi-asserted-by":"crossref","first-page":"889","DOI":"10.2174\/1389450124666230731094837","article-title":"Microtubules and cell division: potential pharmacological targets in cancer therapy","volume":"24","author":"Sebastian","year":"2023","journal-title":"Curr. Drug Targets"},{"issue":"24","key":"10.1016\/j.bmc.2025.118488_bb0015","doi-asserted-by":"crossref","first-page":"13443","DOI":"10.1002\/ange.202100273","article-title":"Comprehensive analysis of binding sites in tubulin","volume":"133","author":"M\u00fchlethaler","year":"2021","journal-title":"Angew. Chem."},{"issue":"1","key":"10.1016\/j.bmc.2025.118488_bb0020","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1016\/j.str.2022.11.006","article-title":"Chemical modulation of microtubule structure through the laulimalide\/peloruside site","volume":"31","author":"Estevez-Gallego","year":"2023","journal-title":"Structure"},{"issue":"3","key":"10.1016\/j.bmc.2025.118488_bb0025","doi-asserted-by":"crossref","DOI":"10.1002\/mog2.46","article-title":"Microtubule-targeting agents for cancer treatment: seven binding sites and three strategies","volume":"2","author":"Wang","year":"2023","journal-title":"MedComm\u2013Oncology"},{"issue":"3","key":"10.1016\/j.bmc.2025.118488_bb0030","doi-asserted-by":"crossref","first-page":"759","DOI":"10.1016\/j.drudis.2021.12.001","article-title":"Molecular interactions at the colchicine binding site in tubulin: An X-ray crystallography perspective","volume":"27","author":"Wang","year":"2022","journal-title":"Drug Discov. Today"},{"issue":"5","key":"10.1016\/j.bmc.2025.118488_bb0035","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1039\/D2MD00023G","article-title":"Morpholine substituted quinazoline derivatives as anticancer agents against MCF-7, A549 and SHSY-5Y cancer cell lines and mechanistic studies","volume":"13","author":"Dwivedi","year":"2022","journal-title":"RSC Medicinal Chemistry"},{"issue":"3","key":"10.1016\/j.bmc.2025.118488_bb0040","doi-asserted-by":"crossref","first-page":"C699","DOI":"10.1152\/ajpcell.00412.2025","article-title":"Strategies for overcoming ABC transporter mediated drug resistance in colorectal cancer","volume":"329","author":"de Groot","year":"2025","journal-title":"Am. J. Physiol. Cell Physiol."},{"key":"10.1016\/j.bmc.2025.118488_bb0045","doi-asserted-by":"crossref","DOI":"10.1016\/j.ejmech.2024.116649","article-title":"Discovery and mechanistic insights into thieno [3, 2-d] pyrimidine and heterocyclic fused pyrimidines inhibitors targeting tubulin for cancer therapy","volume":"276","author":"Wu","year":"2024","journal-title":"Eur. J. Med. Chem."},{"issue":"10","key":"10.1016\/j.bmc.2025.118488_bb0050","doi-asserted-by":"crossref","first-page":"1139","DOI":"10.1007\/s00210-022-02263-x","article-title":"Drug repurposing\u2014an emerging strategy in cancer therapeutics","volume":"395","author":"Turabi","year":"2022","journal-title":"Naunyn Schmiedeberg's Arch. Pharmacol."},{"issue":"12","key":"10.1016\/j.bmc.2025.118488_bb0055","doi-asserted-by":"crossref","first-page":"5913","DOI":"10.21873\/anticanres.15410","article-title":"Repurposing metformin for cancer treatment: a great challenge of a promising drug","volume":"41","author":"Saengboonmee","year":"2021","journal-title":"Anticancer Res."},{"key":"10.1016\/j.bmc.2025.118488_bb0060","doi-asserted-by":"crossref","DOI":"10.3389\/fcell.2022.844028","article-title":"The intricate crosstalk between insulin and pancreatic ductal adenocarcinoma: a review from clinical to molecular","volume":"10","author":"Deng","year":"2022","journal-title":"Frontiers in Cell and Developmental Biology"},{"issue":"1","key":"10.1016\/j.bmc.2025.118488_bb0065","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1186\/s12967-022-03463-y","article-title":"Metformin counteracts stimulatory effects induced by insulin in primary breast cancer cells","volume":"20","author":"Scordamaglia","year":"2022","journal-title":"J. Transl. Med."},{"issue":"1","key":"10.1016\/j.bmc.2025.118488_bb0070","doi-asserted-by":"crossref","first-page":"345","DOI":"10.1186\/s40001-023-01275-4","article-title":"Repurposing approved non-oncology drugs for cancer therapy: a comprehensive review of mechanisms, efficacy, and clinical prospects","volume":"28","author":"Mohi-Ud-Din","year":"2023","journal-title":"Eur. J. Med. Res."},{"key":"10.1016\/j.bmc.2025.118488_bb0075","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2021.105297","article-title":"A new class of cytotoxic agents targets tubulin and disrupts microtubule dynamics","volume":"116","author":"Al-Hamashi","year":"2021","journal-title":"Bioorg. Chem."},{"issue":"5","key":"10.1016\/j.bmc.2025.118488_bb0080","doi-asserted-by":"crossref","first-page":"703","DOI":"10.1038\/s41416-023-02502-9","article-title":"Unlocking hidden potential: advancements, approaches, and obstacles in repurposing drugs for cancer therapy","volume":"130","author":"Weth","year":"2024","journal-title":"Br. J. Cancer"},{"issue":"5","key":"10.1016\/j.bmc.2025.118488_bb0085","doi-asserted-by":"crossref","first-page":"495","DOI":"10.1080\/17460441.2023.2198700","article-title":"Making the most effective use of available computational methods for drug repositioning","volume":"18","author":"Prada Gori","year":"2023","journal-title":"Expert Opin. Drug Discov."},{"issue":"1","key":"10.1016\/j.bmc.2025.118488_bb0090","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1038\/s41392-024-01808-1","article-title":"Drug repurposing for cancer therapy","volume":"9","author":"Xia","year":"2024","journal-title":"Signal Transduct. Target. Ther."},{"key":"10.1016\/j.bmc.2025.118488_bb0095","series-title":"Ligand-and Structure-Based Virtual Screening in Drug Discovery, Biophysical and Computational Tools in Drug Discovery","first-page":"281","author":"Bhunia","year":"2021"},{"issue":"2","key":"10.1016\/j.bmc.2025.118488_bb0100","doi-asserted-by":"crossref","DOI":"10.1016\/j.yexcr.2025.114551","article-title":"Repositioning antimalarial drugs as anticancer agents: focus on tafenoquine","volume":"448","author":"Barton","year":"2025","journal-title":"Exp. Cell Res."},{"issue":"6979","key":"10.1016\/j.bmc.2025.118488_bb0105","doi-asserted-by":"crossref","first-page":"198","DOI":"10.1038\/nature02393","article-title":"Insight into tubulin regulation from a complex with colchicine and a stathmin-like domain","volume":"428","author":"Ravelli","year":"2004","journal-title":"Nature"},{"issue":"14","key":"10.1016\/j.bmc.2025.118488_bb0110","doi-asserted-by":"crossref","first-page":"6734","DOI":"10.1021\/acs.jmedchem.9b00706","article-title":"Structure-guided design, synthesis, and biological evaluation of (2-(1 H-indol-3-yl)-1 H-imidazol-4-yl)(3, 4, 5-trimethoxyphenyl) methanone (ABI-231) analogues targeting the colchicine binding site in tubulin","volume":"62","author":"Wang","year":"2019","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2025.118488_bb0115","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiolchem.2023.107881","article-title":"Design, synthesis, molecular dynamics simulation, MM\/GBSA studies and kinesin spindle protein inhibitory evaluation of some 4-aminoquinoline hybrids","volume":"105","author":"Ranade","year":"2023","journal-title":"Comput. Biol. Chem."},{"issue":"12","key":"10.1016\/j.bmc.2025.118488_bb0120","doi-asserted-by":"crossref","first-page":"5754","DOI":"10.1021\/acs.jcim.0c00326","article-title":"Poonam, discovery of new hydroxyethylamine analogs against 3CLpro protein target of SARS-CoV-2: molecular docking, molecular dynamics simulation, and structure\u2013activity relationship studies","volume":"60","author":"Kumar","year":"2020","journal-title":"J. Chem. Inf. Model."},{"issue":"1","key":"10.1016\/j.bmc.2025.118488_bb0125","doi-asserted-by":"crossref","first-page":"6","DOI":"10.11648\/j.ijctc.20190701.12","article-title":"In-silico drug design, ADMET screening, MM-GBSA binding free energy of some chalcone substituted 9-anilinoacridines as HER2 inhibitors for breast cancer","volume":"7","author":"Rajagopal","year":"2019","journal-title":"International Journal of Computational and Theoretical Chemistry"},{"issue":"3","key":"10.1016\/j.bmc.2025.118488_bb0130","doi-asserted-by":"crossref","first-page":"703","DOI":"10.1002\/prot.22890","article-title":"Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: the role of water molecules examined, proteins: structure","volume":"79","author":"Hayes","year":"2011","journal-title":"Function, and Bioinformatics"},{"key":"10.1016\/j.bmc.2025.118488_bb0135","series-title":"Synthesis and Screening of Novel 2, 4-Bis Substituted Quinazolines as Tubulin Polymerization Promoters and Antiproliferative Agents","author":"Dwivedi","year":"2025"},{"issue":"3","key":"10.1016\/j.bmc.2025.118488_bb0140","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1111\/cbdd.14189","article-title":"Conformation and energy investigation of microtubule longitudinal dynamic instability induced by natural products","volume":"102","author":"Chu","year":"2023","journal-title":"Chem. Biol. Drug Des."},{"issue":"36","key":"10.1016\/j.bmc.2025.118488_bb0145","doi-asserted-by":"crossref","first-page":"32164","DOI":"10.1021\/acsomega.2c03408","article-title":"KC-180-2 exerts anti-SCLC effects via dual inhibition of tubulin polymerization and Src Signaling","volume":"7","author":"Peng","year":"2022","journal-title":"ACS Omega"},{"key":"10.1016\/j.bmc.2025.118488_bb0150","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2022.105687","article-title":"Design, synthesis, biological assessment, and in-silico studies of 1, 2, 4-triazolo [1, 5-a] pyrimidine derivatives as tubulin polymerization inhibitors","volume":"121","author":"Mohamed","year":"2022","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.bmc.2025.118488_bb0155","doi-asserted-by":"crossref","first-page":"1528235","DOI":"10.3389\/fphar.2025.1528235","article-title":"Design, synthesis and antiproliferative activity of novel colchicine derivatives: selective inhibition of melanoma cell proliferation","volume":"16","author":"Kumar","year":"2025","journal-title":"Front. Pharmacol."},{"key":"10.1016\/j.bmc.2025.118488_bb0160","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmc.2022.116976","article-title":"Synthesis and screening of novel 4-N-heterocyclic-2-aryl-6, 7, 8-trimethoxyquinazolines as antiproliferative and tubulin polymerization inhibitors","volume":"72","author":"Dwivedi","year":"2022","journal-title":"Bioorg. Med. Chem."},{"issue":"1","key":"10.1016\/j.bmc.2025.118488_bb0165","doi-asserted-by":"crossref","first-page":"2302320","DOI":"10.1080\/14756366.2024.2302320","article-title":"Design, synthesis, and bioevaluation of 1 h-pyrrolo [3, 2-c] pyridine derivatives as colchicine-binding site inhibitors with potent anticancer activities","volume":"39","author":"Wang","year":"2024","journal-title":"Journal of Enzyme Inhibition and Medicinal Chemistry"},{"issue":"43","key":"10.1016\/j.bmc.2025.118488_bb0170","doi-asserted-by":"crossref","first-page":"30202","DOI":"10.1039\/D3RA05720H","article-title":"Design, synthesis and biological evaluation of tetrahydroquinoxaline sulfonamide derivatives as colchicine binding site inhibitors","volume":"13","author":"Dong","year":"2023","journal-title":"RSC Adv."},{"issue":"6","key":"10.1016\/j.bmc.2025.118488_bb0175","doi-asserted-by":"crossref","first-page":"1794","DOI":"10.1021\/acs.jcim.2c01610","article-title":"Accounting for solvation correlation effects on the thermodynamics of water networks in protein cavities","volume":"63","author":"Barros","year":"2023","journal-title":"J. Chem. Inf. Model."},{"issue":"48","key":"10.1016\/j.bmc.2025.118488_bb0180","doi-asserted-by":"crossref","first-page":"32938","DOI":"10.1021\/acsomega.1c04996","article-title":"Prediction of binding free energy of protein\u2013ligand complexes with a hybrid molecular mechanics\/generalized born surface area and machine learning method","volume":"6","author":"Dong","year":"2021","journal-title":"ACS Omega"},{"issue":"11","key":"10.1016\/j.bmc.2025.118488_bb0185","doi-asserted-by":"crossref","first-page":"1233","DOI":"10.1080\/17460441.2021.1942836","article-title":"What is the current value of MM\/PBSA and MM\/GBSA methods in drug discovery?","volume":"16","author":"Tuccinardi","year":"2021","journal-title":"Expert Opin. Drug Discov."},{"issue":"12","key":"10.1016\/j.bmc.2025.118488_bb0190","doi-asserted-by":"crossref","first-page":"5465","DOI":"10.1080\/07391102.2022.2087736","article-title":"A combination strategy of structure-based virtual screening, MM-GBSA, cross docking, molecular dynamics and metadynamics simulations used to investigate natural compounds as potent and specific inhibitors of tumor linked human carbonic anhydrase IX","volume":"41","author":"Chahal","year":"2023","journal-title":"J. Biomol. Struct. Dyn."},{"key":"10.1016\/j.bmc.2025.118488_bb0195","article-title":"SUMOylation wrestles with the occurrence and development of breast cancer","volume":"11","author":"Qin","year":"2021","journal-title":"Front. Oncol."},{"key":"10.1016\/j.bmc.2025.118488_bb0200","author":"D. Bank"},{"key":"10.1016\/j.bmc.2025.118488_bb0205","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmcl.2020.127698","article-title":"Progress of tubulin polymerization activity detection methods","volume":"37","author":"Zhu","year":"2021","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"10.1016\/j.bmc.2025.118488_bb0210","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2022.133592","article-title":"Design, synthesis and evaluation of 4-phenyl-1, 2, 3-triazole substituted pyrimidine derivatives as antiproliferative and tubulin polymerization inhibitors","volume":"1267","author":"Dwivedi","year":"2022","journal-title":"J. Mol. Struct."},{"issue":"3","key":"10.1016\/j.bmc.2025.118488_bb0215","doi-asserted-by":"crossref","first-page":"1410","DOI":"10.1039\/D4MD00755G","article-title":"Synthesis and screening of novel 2, 4-bis substituted quinazolines as tubulin polymerization promoters and antiproliferative agents","volume":"16","author":"Dwivedi","year":"2025","journal-title":"RSC Medicinal Chemistry"},{"key":"10.1016\/j.bmc.2025.118488_bb0220","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2024.107569","article-title":"The cytotoxic natural compound erianin binds to colchicine site of \u03b2-tubulin and overcomes taxane resistance","volume":"150","author":"Yan","year":"2024","journal-title":"Bioorg. Chem."}],"container-title":["Bioorganic & Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0968089625004298?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0968089625004298?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,6,12]],"date-time":"2026-06-12T08:38:30Z","timestamp":1781253510000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0968089625004298"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,2]]},"references-count":44,"alternative-id":["S0968089625004298"],"URL":"https:\/\/doi.org\/10.1016\/j.bmc.2025.118488","relation":{},"ISSN":["0968-0896"],"issn-type":[{"value":"0968-0896","type":"print"}],"subject":[],"published":{"date-parts":[[2026,2]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Repurposing the USFDA-approved small molecules for their affinity against the colchicine binding site (CBS) in the tubulin: Corroborating the in-silico findings through biological assessment","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmc.2025.118488","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2025 Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"118488"}}