{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,19]],"date-time":"2026-01-19T07:54:21Z","timestamp":1768809261034,"version":"3.49.0"},"reference-count":42,"publisher":"Elsevier BV","issue":"18","license":[{"start":{"date-parts":[[2016,9,1]],"date-time":"2016-09-01T00:00:00Z","timestamp":1472688000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2016,9,1]],"date-time":"2016-09-01T00:00:00Z","timestamp":1472688000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2017,8,17]],"date-time":"2017-08-17T00:00:00Z","timestamp":1502928000000},"content-version":"am","delay-in-days":350,"URL":"http:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/100000774","name":"Defense Threat Reduction Agency","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000774","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic & Medicinal Chemistry"],"published-print":{"date-parts":[[2016,9]]},"DOI":"10.1016\/j.bmc.2016.06.036","type":"journal-article","created":{"date-parts":[[2016,6,19]],"date-time":"2016-06-19T21:25:05Z","timestamp":1466371505000},"page":"3978-3985","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":10,"title":["Small molecule non-peptide inhibitors of botulinum neurotoxin serotype E: Structure\u2013activity relationship and a pharmacophore model"],"prefix":"10.1016","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-7593-0737","authenticated-orcid":false,"given":"Gyanendra","family":"Kumar","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Rakhi","family":"Agarwal","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Subramanyam","family":"Swaminathan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.bmc.2016.06.036_b0005","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1111\/j.1749-6632.1994.tb26614.x","volume":"710","author":"Schiavo","year":"1994","journal-title":"Ann. N.Y. Acad. Sci."},{"key":"10.1016\/j.bmc.2016.06.036_b0010","doi-asserted-by":"crossref","first-page":"1855","DOI":"10.1212\/01.wnl.0000244417.34846.b6","volume":"67","author":"Souayah","year":"2006","journal-title":"Neurology"},{"key":"10.1016\/j.bmc.2016.06.036_b0015","doi-asserted-by":"crossref","first-page":"9984","DOI":"10.1073\/pnas.0408526102","volume":"102","author":"Wein","year":"2005","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"10.1016\/j.bmc.2016.06.036_b0020","doi-asserted-by":"crossref","first-page":"47","DOI":"10.2174\/187152607780090667","volume":"7","author":"Cai","year":"2007","journal-title":"Infect. Disord. Drug Targets"},{"key":"10.1016\/j.bmc.2016.06.036_b0025","first-page":"1","volume":"364","author":"Hill","year":"2013","journal-title":"Curr. Top. Microbiol. Immunol."},{"key":"10.1016\/j.bmc.2016.06.036_b0030","doi-asserted-by":"crossref","first-page":"10461","DOI":"10.1016\/S0021-9258(19)85105-0","volume":"260","author":"Sathyamoorthy","year":"1985","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0035","doi-asserted-by":"crossref","first-page":"535","DOI":"10.1083\/jcb.103.2.535","volume":"103","author":"Black","year":"1986","journal-title":"J. Cell Biol."},{"key":"10.1016\/j.bmc.2016.06.036_b0040","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1083\/jcb.103.2.521","volume":"103","author":"Black","year":"1986","journal-title":"J. Cell Biol."},{"key":"10.1016\/j.bmc.2016.06.036_b0045","doi-asserted-by":"crossref","first-page":"1870","DOI":"10.1016\/j.celrep.2014.08.017","volume":"8","author":"Pirazzini","year":"2014","journal-title":"Cell Rep."},{"key":"10.1016\/j.bmc.2016.06.036_b0050","doi-asserted-by":"crossref","first-page":"423","DOI":"10.1017\/S0033583500003292","volume":"28","author":"Montecucco","year":"1995","journal-title":"Q. Rev. Biophys."},{"key":"10.1016\/j.bmc.2016.06.036_b0055","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1038\/77900","volume":"7","author":"Singh","year":"2000","journal-title":"Nat. Struct. Biol."},{"key":"10.1016\/j.bmc.2016.06.036_b0060","doi-asserted-by":"crossref","first-page":"1617","DOI":"10.1016\/S0021-9258(17)42071-0","volume":"269","author":"Binz","year":"1994","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0065","doi-asserted-by":"crossref","first-page":"4821","DOI":"10.1002\/j.1460-2075.1993.tb06171.x","volume":"12","author":"Blasi","year":"1993","journal-title":"EMBO J."},{"key":"10.1016\/j.bmc.2016.06.036_b0070","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1038\/359832a0","volume":"359","author":"Schiavo","year":"1992","journal-title":"Nature"},{"key":"10.1016\/j.bmc.2016.06.036_b0075","doi-asserted-by":"crossref","first-page":"23784","DOI":"10.1016\/S0021-9258(20)80452-9","volume":"268","author":"Schiavo","year":"1993","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0080","doi-asserted-by":"crossref","first-page":"11516","DOI":"10.1016\/S0021-9258(19)50230-7","volume":"268","author":"Schiavo","year":"1993","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0085","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/S0014-5793(98)01041-2","volume":"435","author":"Schmidt","year":"1998","journal-title":"FEBS Lett."},{"key":"10.1016\/j.bmc.2016.06.036_b0090","doi-asserted-by":"crossref","first-page":"423","DOI":"10.1016\/S0014-5793(02)03738-9","volume":"532","author":"Schmidt","year":"2002","journal-title":"FEBS Lett."},{"key":"10.1016\/j.bmc.2016.06.036_b0095","doi-asserted-by":"crossref","first-page":"5736","DOI":"10.1021\/bi8001067","volume":"47","author":"Silvaggi","year":"2008","journal-title":"Biochemistry"},{"key":"10.1016\/j.bmc.2016.06.036_b0100","doi-asserted-by":"crossref","first-page":"1588","DOI":"10.1016\/j.str.2008.07.011","volume":"16","author":"Zuniga","year":"2008","journal-title":"Structure"},{"key":"10.1016\/j.bmc.2016.06.036_b0105","doi-asserted-by":"crossref","first-page":"18883","DOI":"10.1074\/jbc.M801240200","volume":"283","author":"Kumaran","year":"2008","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0110","doi-asserted-by":"crossref","first-page":"1802","DOI":"10.1074\/jbc.M110.146464","volume":"286","author":"Hale","year":"2011","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0115","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1107\/S0907444912003551","volume":"68","author":"Kumar","year":"2012","journal-title":"Acta Crystallogr., Sect D"},{"key":"10.1016\/j.bmc.2016.06.036_b0120","doi-asserted-by":"crossref","first-page":"1729","DOI":"10.1021\/ol0603211","volume":"8","author":"Boldt","year":"2006","journal-title":"Org. Lett."},{"key":"10.1016\/j.bmc.2016.06.036_b0125","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1016\/j.chembiol.2007.03.014","volume":"14","author":"Silvaggi","year":"2007","journal-title":"Chem. Biol."},{"key":"10.1016\/j.bmc.2016.06.036_b0130","doi-asserted-by":"crossref","first-page":"3072","DOI":"10.1016\/j.bmc.2009.03.013","volume":"17","author":"Moe","year":"2009","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0135","doi-asserted-by":"crossref","first-page":"2602","DOI":"10.1073\/pnas.0611213104","volume":"104","author":"Eubanks","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"10.1016\/j.bmc.2016.06.036_b0140","doi-asserted-by":"crossref","first-page":"2264","DOI":"10.1021\/jm901852f","volume":"53","author":"Li","year":"2010","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0145","doi-asserted-by":"crossref","first-page":"7870","DOI":"10.1021\/jm400873n","volume":"56","author":"Silhar","year":"2013","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0150","doi-asserted-by":"crossref","first-page":"669","DOI":"10.1021\/jm4012164","volume":"57","author":"Caglic","year":"2014","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0155","doi-asserted-by":"crossref","first-page":"33607","DOI":"10.1074\/jbc.M112.396697","volume":"287","author":"Stura","year":"2012","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0160","author":"Kumar","year":"2015","journal-title":"Curr. Top. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0165","doi-asserted-by":"crossref","first-page":"4648","DOI":"10.1021\/jm0300680","volume":"46","author":"Anne","year":"2003","journal-title":"J. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0170","doi-asserted-by":"crossref","first-page":"4655","DOI":"10.1016\/S0968-0896(03)00450-4","volume":"11","author":"Anne","year":"2003","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0175","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1016\/j.jmb.2008.12.027","volume":"386","author":"Kumaran","year":"2009","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.bmc.2016.06.036_b0180","doi-asserted-by":"crossref","first-page":"16993","DOI":"10.1074\/jbc.M710442200","volume":"283","author":"Wang","year":"2008","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0185","doi-asserted-by":"crossref","first-page":"6637","DOI":"10.1021\/bi036278w","volume":"43","author":"Agarwal","year":"2004","journal-title":"Biochemistry"},{"key":"10.1016\/j.bmc.2016.06.036_b0190","doi-asserted-by":"crossref","first-page":"25944","DOI":"10.1074\/jbc.M803756200","volume":"283","author":"Agarwal","year":"2008","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bmc.2016.06.036_b0195","doi-asserted-by":"crossref","first-page":"2412","DOI":"10.1039\/c2cc17158a","volume":"48","author":"Kumar","year":"2012","journal-title":"Chem. Commun."},{"key":"10.1016\/j.bmc.2016.06.036_b0200","unstructured":"Group, C.C. (2011) Molecular Operating Environment, 2011.10 ed."},{"key":"10.1016\/j.bmc.2016.06.036_b0205","doi-asserted-by":"crossref","first-page":"903","DOI":"10.1093\/protein\/4.8.903","volume":"4","author":"Mehler","year":"1991","journal-title":"Protein Eng."},{"key":"10.1016\/j.bmc.2016.06.036_b0210","first-page":"11","volume":"2010","author":"Burnett","year":"2010","journal-title":"Open Access Bioinformatics"}],"container-title":["Bioorganic & Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S096808961630459X?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S096808961630459X?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T00:46:56Z","timestamp":1760834816000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S096808961630459X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,9]]},"references-count":42,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2016,9]]}},"alternative-id":["S096808961630459X"],"URL":"https:\/\/doi.org\/10.1016\/j.bmc.2016.06.036","relation":{},"ISSN":["0968-0896"],"issn-type":[{"value":"0968-0896","type":"print"}],"subject":[],"published":{"date-parts":[[2016,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Small molecule non-peptide inhibitors of botulinum neurotoxin serotype E: Structure\u2013activity relationship and a pharmacophore model","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmc.2016.06.036","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2016 Elsevier Ltd. All rights reserved.","name":"copyright","label":"Copyright"}]}}