{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T12:51:33Z","timestamp":1767963093509,"version":"3.49.0"},"reference-count":32,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2015,4,1]],"date-time":"2015-04-01T00:00:00Z","timestamp":1427846400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2015,4,1]],"date-time":"2015-04-01T00:00:00Z","timestamp":1427846400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"}],"content-domain":{"domain":["clinicalkey.com","clinicalkey.com.au","clinicalkey.es","clinicalkey.fr","clinicalkey.jp","em-consulte.com","elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Biomedicine &amp; Pharmacotherapy"],"published-print":{"date-parts":[[2015,4]]},"DOI":"10.1016\/j.biopha.2015.02.010","type":"journal-article","created":{"date-parts":[[2015,3,5]],"date-time":"2015-03-05T00:56:01Z","timestamp":1425516961000},"page":"146-152","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":37,"special_numbering":"C","title":["Use of ligand-based pharmacophore modeling and docking approach to find novel acetylcholinesterase inhibitors for treating Alzheimer's"],"prefix":"10.1016","volume":"71","author":[{"given":"Jaspreet Kaur","family":"Dhanjal","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sudhanshu","family":"Sharma","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Abhinav","family":"Grover","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Asmita","family":"Das","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.biopha.2015.02.010_bib0165","series-title":"Batsch MSM: World Alzheimer Report 2012: Overcoming the stigma of dementia. Alzheimer's Disease International","author":"Nicole","year":"2012"},{"key":"10.1016\/j.biopha.2015.02.010_bib0170","series-title":"2012 Alzheimer's Disease Facts and Figures. Alzheimer's association","year":"2012"},{"issue":"3\u20134","key":"10.1016\/j.biopha.2015.02.010_bib0175","first-page":"283","article-title":"Cholinergic foundations of Alzheimer's disease therapy","volume":"92","author":"Giacobini","year":"1998","journal-title":"J Physiol"},{"issue":"5580","key":"10.1016\/j.biopha.2015.02.010_bib0180","doi-asserted-by":"crossref","first-page":"353","DOI":"10.1126\/science.1072994","article-title":"The amyloid hypothesis of Alzheimer's disease: progress and problems on the road to therapeutics","volume":"297","author":"Hardy","year":"2002","journal-title":"Science"},{"issue":"13","key":"10.1016\/j.biopha.2015.02.010_bib0185","doi-asserted-by":"crossref","first-page":"4913","DOI":"10.1073\/pnas.83.13.4913","article-title":"Abnormal phosphorylation of the microtubule-associated protein tau (tau) in Alzheimer cytoskeletal pathology","volume":"83","author":"Grundke-Iqbal","year":"1986","journal-title":"Proc Natl Acad Sci US A"},{"key":"10.1016\/j.biopha.2015.02.010_bib0190","first-page":"42","article-title":"Cholinergic therapy in dementia","volume":"149","author":"Whitehouse","year":"1993","journal-title":"Acta Neurol Scand Suppl"},{"issue":"7082","key":"10.1016\/j.biopha.2015.02.010_bib0195","doi-asserted-by":"crossref","first-page":"693","DOI":"10.1136\/bmj.314.7082.693","article-title":"Drug treatments for Alzheimer's disease","volume":"314","author":"Kelly","year":"1997","journal-title":"BMJ"},{"issue":"5","key":"10.1016\/j.biopha.2015.02.010_bib0200","doi-asserted-by":"crossref","first-page":"1095","DOI":"10.2165\/00003495-200060050-00008","article-title":"Galantamine: a review of its use in Alzheimer's disease","volume":"60","author":"Scott","year":"2000","journal-title":"Drugs"},{"issue":"10","key":"10.1016\/j.biopha.2015.02.010_bib0205","doi-asserted-by":"crossref","first-page":"1673","DOI":"10.1517\/13543784.8.10.1673","article-title":"Rivastigmine, a brain-region selective acetylcholinesterase inhibitor for treating Alzheimer's disease: review and current status","volume":"8","author":"Gottwald","year":"1999","journal-title":"Expert Opin Investig Drugs"},{"issue":"3","key":"10.1016\/j.biopha.2015.02.010_bib0210","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1016\/j.coph.2005.01.014","article-title":"Acetylcholinesterase: \u201cclassical\u201d and \u201cnon-classical\u201d functions and pharmacology","volume":"5","author":"Silman","year":"2005","journal-title":"Curr Opin Pharmacol"},{"issue":"8","key":"10.1016\/j.biopha.2015.02.010_bib0215","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.1001\/archneur.60.8.1119","article-title":"Alzheimer disease in the US population: prevalence estimates using the 2000 census","volume":"60","author":"Hebert","year":"2003","journal-title":"Arch Neurol"},{"issue":"2","key":"10.1016\/j.biopha.2015.02.010_bib0220","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1136\/jnnp.66.2.137","article-title":"The cholinergic hypothesis of Alzheimer's disease: a review of progress","volume":"66","author":"Francis","year":"1999","journal-title":"J Neurol Neurosurg Psychiatry"},{"issue":"1","key":"10.1016\/j.biopha.2015.02.010_bib0225","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1016\/0301-0082(93)90040-Y","article-title":"Molecular and cellular biology of cholinesterases","volume":"41","author":"Massoulie","year":"1993","journal-title":"Prog Neurobiol"},{"issue":"4","key":"10.1016\/j.biopha.2015.02.010_bib0230","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1080\/14756360701421294","article-title":"Acetylcholinesterases\u00a0\u2013\u00a0the structural similarities and differences","volume":"22","author":"Wiesner","year":"2007","journal-title":"J Enzyme Inhib Med Chem"},{"issue":"1","key":"10.1016\/j.biopha.2015.02.010_bib0235","doi-asserted-by":"crossref","first-page":"43","DOI":"10.2174\/157488909787002582","article-title":"Contemporary anticholinesterase pharmaceuticals of natural origin and their synthetic analogues for the treatment of Alzheimer's disease","volume":"4","author":"Orhan","year":"2009","journal-title":"Recent Pat CNS Drug Discov"},{"issue":"17","key":"10.1016\/j.biopha.2015.02.010_bib0240","doi-asserted-by":"crossref","first-page":"1825","DOI":"10.2174\/092986710791111206","article-title":"Tacrine derivatives and Alzheimer's disease","volume":"17","author":"Tumiatti","year":"2010","journal-title":"Curr Med Chem"},{"issue":"2","key":"10.1016\/j.biopha.2015.02.010_bib0245","first-page":"CD003155","article-title":"Metrifonate for Alzheimer's disease","author":"Lopez-Arrieta","year":"2006","journal-title":"Cochrane Database Syst Rev"},{"issue":"10","key":"10.1016\/j.biopha.2015.02.010_bib0250","doi-asserted-by":"crossref","first-page":"1018","DOI":"10.2174\/092986708784049630","article-title":"Pharmacophore-based virtual screening","volume":"15","author":"Sun","year":"2008","journal-title":"Curr Med Chem"},{"issue":"Pt 11","key":"10.1016\/j.biopha.2015.02.010_bib0255","doi-asserted-by":"crossref","first-page":"1385","DOI":"10.1107\/S0907444900010659","article-title":"Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II","volume":"56","author":"Kryger","year":"2000","journal-title":"Acta Crystallogr D Biol Crystallogr"},{"key":"10.1016\/j.biopha.2015.02.010_bib0260","unstructured":"Viewerlite 5.0: Discovery Studio Visualizer. In., 5.0 edn: Accelrys Inc., San Diago, USA."},{"key":"10.1016\/j.biopha.2015.02.010_bib0265","unstructured":"Schrodinger Suite 2009 Protein Preparation Wizard. In., Epik version 2.0; Impact version 5.5; Prime version 2.1 edn: Schrodinger, LLC, New York; 2009."},{"key":"10.1016\/j.biopha.2015.02.010_bib0270","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"},{"key":"10.1016\/j.biopha.2015.02.010_bib0275","doi-asserted-by":"crossref","first-page":"1750","DOI":"10.1021\/jm030644s","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening","volume":"47","author":"Halgren","year":"2004","journal-title":"J Med Chem"},{"issue":"2","key":"10.1016\/j.biopha.2015.02.010_bib0280","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1093\/protein\/8.2.127","article-title":"LIGPLOT: a program to generate schematic diagrams of protein\u2013ligand interactions","volume":"8","author":"Wallace","year":"1995","journal-title":"Protein Eng"},{"issue":"4","key":"10.1016\/j.biopha.2015.02.010_bib0285","doi-asserted-by":"crossref","first-page":"348","DOI":"10.1111\/j.1747-0285.2010.00951.x","article-title":"Probing the alpha-helical structural stability of stapled p53 peptides: molecular dynamics simulations and analysis","volume":"75","author":"Guo","year":"2010","journal-title":"Chem Biol Drug Des"},{"key":"10.1016\/j.biopha.2015.02.010_bib0290","unstructured":"Desmond Molecular Dynamics System. In., version 3.0 edn. D. E. Shaw Research New York, NY; 2011: Maestro-Desmond Interoperability Tools, version 3.0, Schrodinger, New York, NY, 2011."},{"issue":"45","key":"10.1016\/j.biopha.2015.02.010_bib0295","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","article-title":"Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids","volume":"118","author":"Jorgensen","year":"1996","journal-title":"J Am Chem Soc"},{"key":"10.1016\/j.biopha.2015.02.010_bib0300","doi-asserted-by":"crossref","first-page":"6474","DOI":"10.1021\/jp003919d","article-title":"Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides","volume":"105","author":"Kaminski","year":"2001","journal-title":"J Phys Chem B"},{"issue":"5","key":"10.1016\/j.biopha.2015.02.010_bib0305","doi-asserted-by":"crossref","first-page":"955","DOI":"10.1021\/cr00081a005","article-title":"Acetylcholinesterase: enzyme structure, reaction dynamics, and virtual transition states","volume":"87","author":"Quinn","year":"1987","journal-title":"Chem Rev"},{"issue":"5022","key":"10.1016\/j.biopha.2015.02.010_bib0310","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"},{"issue":"25","key":"10.1016\/j.biopha.2015.02.010_bib0315","doi-asserted-by":"crossref","first-page":"17640","DOI":"10.1016\/S0021-9258(19)37091-7","article-title":"Mutagenesis of human acetylcholinesterase. Identification of residues involved in catalytic activity and in polypeptide folding","volume":"267","author":"Shafferman","year":"1992","journal-title":"J Biol Chem"},{"key":"10.1016\/j.biopha.2015.02.010_bib0320","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1042\/bj3350095","article-title":"The \u201caromatic patch\u201d of three proximal residues in the human acetylcholinesterase active centre allows for versatile interaction modes with inhibitors","volume":"335","author":"Ariel","year":"1998","journal-title":"Biochem J"}],"container-title":["Biomedicine &amp; Pharmacotherapy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0753332215000591?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0753332215000591?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T10:56:55Z","timestamp":1760093815000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0753332215000591"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,4]]},"references-count":32,"alternative-id":["S0753332215000591"],"URL":"https:\/\/doi.org\/10.1016\/j.biopha.2015.02.010","relation":{},"ISSN":["0753-3322"],"issn-type":[{"value":"0753-3322","type":"print"}],"subject":[],"published":{"date-parts":[[2015,4]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Use of ligand-based pharmacophore modeling and docking approach to find novel acetylcholinesterase inhibitors for treating Alzheimer's","name":"articletitle","label":"Article Title"},{"value":"Biomedicine & Pharmacotherapy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.biopha.2015.02.010","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Copyright \u00a9 2015 Elsevier Masson SAS. All rights reserved.","name":"copyright","label":"Copyright"}]}}