{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,25]],"date-time":"2026-04-25T11:02:46Z","timestamp":1777114966922,"version":"3.51.4"},"reference-count":25,"publisher":"Elsevier BV","issue":"24","license":[{"start":{"date-parts":[[2020,12,1]],"date-time":"2020-12-01T00:00:00Z","timestamp":1606780800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2020,12,1]],"date-time":"2020-12-01T00:00:00Z","timestamp":1606780800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"funder":[{"name":"The University of Queensland School of Pharmacy"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic & Medicinal Chemistry Letters"],"published-print":{"date-parts":[[2020,12]]},"DOI":"10.1016\/j.bmcl.2020.127609","type":"journal-article","created":{"date-parts":[[2020,10,8]],"date-time":"2020-10-08T09:06:07Z","timestamp":1602147967000},"page":"127609","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":12,"title":["Rapid discovery of a selective butyrylcholinesterase inhibitor using structure-based virtual screening"],"prefix":"10.1016","volume":"30","author":[{"given":"Jared A.","family":"Miles","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jeevak S.","family":"Kapure","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Girdhar Singh","family":"Deora","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Charlotte","family":"Courageux","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0421-6488","authenticated-orcid":false,"given":"Alexandre","family":"Igert","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jos\u00e9","family":"Dias","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ross P.","family":"McGeary","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xavier","family":"Brazzolotto","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Benjamin P.","family":"Ross","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.bmcl.2020.127609_b0005","unstructured":"Alzheimer\u2019s Disease International, Policy Brief for Heads of Government: The Global Impact of Dementia 2013 - 2050. Policy Brief for Heads of Government: The Global Impact of Dementia 2013\u20132050: 2013."},{"issue":"8925","key":"10.1016\/j.bmcl.2020.127609_b0010","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1016\/S0140-6736(94)92338-8","article-title":"Differences in the pattern of hippocampal neuronal loss in normal ageing and Alzheimer's disease","volume":"344","author":"West","year":"1994","journal-title":"Lancet"},{"issue":"4537","key":"10.1016\/j.bmcl.2020.127609_b0015","doi-asserted-by":"crossref","first-page":"1237","DOI":"10.1126\/science.7058341","article-title":"Alzheimer\u2019s disease and senile dementia: loss of neurons in the basal forebrain","volume":"215","author":"Whitehouse","year":"1982","journal-title":"Science"},{"issue":"1","key":"10.1016\/j.bmcl.2020.127609_b0020","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1111\/j.1748-1716.1958.tb01537.x","article-title":"Cholinesterase content of certain regions of the spinal cord as judged by histochemical and cartesian diver technique","volume":"42","author":"Giacobini","year":"1958","journal-title":"Acta Physiol Scand"},{"issue":"5","key":"10.1016\/j.bmcl.2020.127609_b0025","doi-asserted-by":"crossref","first-page":"1421","DOI":"10.1111\/j.1471-4159.2006.04347.x","article-title":"Excessive hippocampal acetylcholine levels in acetylcholinesterase-deficient mice are moderated by butyrylcholinesterase activity","volume":"100","author":"Hartmann","year":"2007","journal-title":"J Neurochem"},{"key":"10.1016\/j.bmcl.2020.127609_b0030","series-title":"Cholinesterases and cholinesterase inhibitors","first-page":"181","article-title":"Cholinesterase inhibitors: from the Calabar bean to Alzheimer therapy","author":"Giacobini","year":"2000"},{"issue":"4","key":"10.1016\/j.bmcl.2020.127609_b0035","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1111\/j.1365-2990.1978.tb00545.x","article-title":"Changes in brain cholinesterases in senile dementia of Alzheimer type","volume":"4","author":"Perry","year":"1978","journal-title":"Neuropathol Appl Neurobiol"},{"key":"10.1016\/j.bmcl.2020.127609_b0040","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1038\/s42004-019-0133-4","article-title":"Rivastigmine and metabolite analogues with putative Alzheimer\u2019s disease-modifying properties in a Caenorhabditis elegans model","volume":"2","author":"Dighe","year":"2019","journal-title":"Commun Chem"},{"issue":"Suppl 1","key":"10.1016\/j.bmcl.2020.127609_b0045","doi-asserted-by":"crossref","first-page":"S2","DOI":"10.1097\/01.wad.0000127495.10774.a4","article-title":"Long-term treatment of Alzheimer disease: efficacy and safety of acetylcholinesterase inhibitors","volume":"18","author":"Winblad","year":"2004","journal-title":"Alzheimer Dis Assoc Disord"},{"issue":"7512","key":"10.1016\/j.bmcl.2020.127609_b0050","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1136\/bmj.331.7512.321","article-title":"Cholinesterase inhibitors for patients with Alzheimer's disease: systematic review of randomised clinical trials","volume":"331","author":"Kaduszkiewicz","year":"2005","journal-title":"BMJ"},{"issue":"1","key":"10.1016\/j.bmcl.2020.127609_b0055","first-page":"52","article-title":"Characterization of 12 silent alleles of the human butyrylcholinesterase (BCHE) gene","volume":"58","author":"Primo-Parmo","year":"1996","journal-title":"Am J Hum Genet"},{"issue":"19","key":"10.1016\/j.bmcl.2020.127609_b0060","doi-asserted-by":"crossref","first-page":"8167","DOI":"10.1021\/jm501195e","article-title":"Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor","volume":"57","author":"Brus","year":"2014","journal-title":"J Med Chem"},{"issue":"16","key":"10.1016\/j.bmcl.2020.127609_b0065","doi-asserted-by":"crossref","first-page":"7683","DOI":"10.1021\/acs.jmedchem.6b00356","article-title":"Discovery and structure-activity relationships of a highly selective butyrylcholinesterase inhibitor by structure-based virtual screening","volume":"59","author":"Dighe","year":"2016","journal-title":"J Med Chem"},{"issue":"7","key":"10.1016\/j.bmcl.2020.127609_b0070","doi-asserted-by":"crossref","first-page":"1739","DOI":"10.1021\/jm0306430","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy","volume":"47","author":"Friesner","year":"2004","journal-title":"J Med Chem"},{"issue":"22","key":"10.1016\/j.bmcl.2020.127609_b0075","doi-asserted-by":"crossref","first-page":"10282","DOI":"10.1021\/jm300871x","article-title":"Structures of human acetylcholinesterase in complex with pharmacologically important ligands","volume":"55","author":"Cheung","year":"2012","journal-title":"J Med Chem"},{"issue":"5","key":"10.1016\/j.bmcl.2020.127609_b0080","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1016\/0959-440X(92)90207-N","article-title":"Acetylcholinesterase: structure and use as a model for specific cation\u2014protein interactions","volume":"2","author":"Sussman","year":"1992","journal-title":"Curr Opin Struct Biol"},{"issue":"7","key":"10.1016\/j.bmcl.2020.127609_b0085","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1021\/jm901137j","article-title":"New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays","volume":"53","author":"Baell","year":"2010","journal-title":"J Med Chem"},{"issue":"8","key":"10.1016\/j.bmcl.2020.127609_b0090","doi-asserted-by":"crossref","first-page":"1712","DOI":"10.1021\/jm010533y","article-title":"A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening","volume":"45","author":"McGovern","year":"2002","journal-title":"J Med Chem"},{"issue":"11","key":"10.1016\/j.bmcl.2020.127609_b0095","doi-asserted-by":"crossref","first-page":"2324","DOI":"10.1021\/acs.jcim.5b00559","article-title":"ZINC 15 \u2013 ligand discovery for everyone","volume":"55","author":"Sterling","year":"2015","journal-title":"J Chem Inf Model"},{"issue":"13","key":"10.1016\/j.bmcl.2020.127609_b0100","doi-asserted-by":"crossref","first-page":"992","DOI":"10.1001\/jama.1994.03510370044030","article-title":"Hepatotoxic effects of tacrine administration in patients with Alzheimer's disease","volume":"271","author":"Watkins","year":"1994","journal-title":"JAMA"},{"issue":"17","key":"10.1016\/j.bmcl.2020.127609_b0105","doi-asserted-by":"crossref","first-page":"5365","DOI":"10.1021\/jm900859q","article-title":"Pyrano[3,2-c]quinoline\u22126-chlorotacrine hybrids as a novel family of acetylcholinesterase- and \u03b2-amyloid-directed anti-alzheimer compounds","volume":"52","author":"Camps","year":"2009","journal-title":"J Med Chem"},{"key":"10.1016\/j.bmcl.2020.127609_b0110","doi-asserted-by":"crossref","first-page":"310","DOI":"10.1016\/j.compbiolchem.2018.08.003","article-title":"Quinoline containing chalcone derivatives as cholinesterase inhibitors and their in silico modeling studies","volume":"76","author":"Shah","year":"2018","journal-title":"Comput Biol Chem"},{"issue":"5022","key":"10.1016\/j.bmcl.2020.127609_b0115","doi-asserted-by":"crossref","first-page":"872","DOI":"10.1126\/science.1678899","article-title":"Atomic structure of acetylcholinesterase from Torpedo californica: a prototypic acetylcholine-binding protein","volume":"253","author":"Sussman","year":"1991","journal-title":"Science"},{"key":"10.1016\/j.bmcl.2020.127609_b0120","series-title":"Evaluation of enzyme inhibitors in drug discovery: a guide for medicinal chemists and pharmacologists","author":"Copeland","year":"2013"},{"issue":"2","key":"10.1016\/j.bmcl.2020.127609_b0125","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/j.ejps.2009.06.009","article-title":"P-glycoprotein deficient mouse in situ blood-brain barrier permeability and its prediction using an in combo PAMPA model","volume":"38","author":"Dagenais","year":"2009","journal-title":"Eur J Pharm Sci"}],"container-title":["Bioorganic & Medicinal Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X20307204?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X20307204?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,18]],"date-time":"2025-10-18T07:36:00Z","timestamp":1760772960000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0960894X20307204"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,12]]},"references-count":25,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2020,12]]}},"alternative-id":["S0960894X20307204"],"URL":"https:\/\/doi.org\/10.1016\/j.bmcl.2020.127609","relation":{},"ISSN":["0960-894X"],"issn-type":[{"value":"0960-894X","type":"print"}],"subject":[],"published":{"date-parts":[[2020,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Rapid discovery of a selective butyrylcholinesterase inhibitor using structure-based virtual screening","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry Letters","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmcl.2020.127609","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2020 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}],"article-number":"127609"}}