{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,6]],"date-time":"2026-04-06T12:26:47Z","timestamp":1775478407886,"version":"3.50.1"},"reference-count":34,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2021,3,1]],"date-time":"2021-03-01T00:00:00Z","timestamp":1614556800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2021,3,1]],"date-time":"2021-03-01T00:00:00Z","timestamp":1614556800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2021,1,23]],"date-time":"2021-01-23T00:00:00Z","timestamp":1611360000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Bioorganic & Medicinal Chemistry Letters"],"published-print":{"date-parts":[[2021,3]]},"DOI":"10.1016\/j.bmcl.2021.127818","type":"journal-article","created":{"date-parts":[[2021,1,26]],"date-time":"2021-01-26T18:07:24Z","timestamp":1611684444000},"page":"127818","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":13,"special_numbering":"C","title":["Identification of Plasmodium falciparum heat shock 90 inhibitors via molecular docking"],"prefix":"10.1016","volume":"35","author":[{"given":"Nikalet","family":"Everson","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jordan","family":"Bach","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9463-0526","authenticated-orcid":false,"given":"Jared T.","family":"Hammill","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mofolusho O.","family":"Falade","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7398-9022","authenticated-orcid":false,"given":"Amy L.","family":"Rice","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"R. Kiplin","family":"Guy","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Scott","family":"Eagon","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.bmcl.2021.127818_b0005","series-title":"World Health Organization","first-page":"2019","author":"World Malaria Report","year":"2019"},{"key":"10.1016\/j.bmcl.2021.127818_b0010","doi-asserted-by":"crossref","first-page":"62901","DOI":"10.1371\/journal.pone.0062906","article-title":"The open access malaria box: a drug discovery catalyst for neglected diseases","volume":"8","author":"Spangenberg","year":"2013","journal-title":"PLoS ONE"},{"key":"10.1016\/j.bmcl.2021.127818_h0015","doi-asserted-by":"crossref","first-page":"17050","DOI":"10.1038\/nrdp.2017.50","volume":"3","author":"Phillips","year":"2017","journal-title":"Malaria Nat Rev Dis Prim"},{"key":"10.1016\/j.bmcl.2021.127818_h0020","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1017\/S0031182013000826","article-title":"Antimalarial drug discovery \u2013 the path towards eradication","volume":"141","author":"Durrows","year":"2014","journal-title":"Parasitology"},{"key":"10.1016\/j.bmcl.2021.127818_h0025","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1038\/nrmicro3138","article-title":"Antimalarial drug discovery: approaches and progress toward new medicines","volume":"11","author":"Flannery","year":"2013","journal-title":"Nat Rev Microbiol"},{"key":"10.1016\/j.bmcl.2021.127818_h0030","doi-asserted-by":"crossref","first-page":"1126","DOI":"10.1021\/ml4004414","article-title":"Antimalarial drug discovery: from quinine to the dream of eradication","volume":"4","author":"Renslo","year":"2013","journal-title":"ACS Med Chem Lett"},{"key":"10.1016\/j.bmcl.2021.127818_b0020","doi-asserted-by":"crossref","first-page":"456","DOI":"10.1111\/joim.12223","article-title":"The Path of Malaria Vaccine Development: Challenges and Perspectives","volume":"275","author":"Arama","year":"2014","journal-title":"J Intern Med"},{"key":"10.1016\/j.bmcl.2021.127818_b0025","first-page":"17050","article-title":"Antimalarial drug resistance: linking Plasmodium falciparum parasite biology to the clinic","volume":"3","author":"Blasco","year":"2017","journal-title":"Nat Med"},{"key":"10.1016\/j.bmcl.2021.127818_h0045","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1056\/NEJMoa0808859","article-title":"Artemisinin resistance in Plasmodium falciparum malaria","volume":"361","author":"Dondorp","year":"2009","journal-title":"N Engl J Med"},{"key":"10.1016\/j.bmcl.2021.127818_h0050","doi-asserted-by":"crossref","first-page":"156","DOI":"10.1038\/nrmicro.2017.161","article-title":"Drug resistance in plasmodium","volume":"16","author":"Haldar","year":"2018","journal-title":"Nat Rev Micro"},{"key":"10.1016\/j.bmcl.2021.127818_h0055","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1016\/S1473-3099(19)30392-5","article-title":"Evolution and expansion of multidrug-resistant malaria in Southeast Asia: a genomic epidemiology study","volume":"19","author":"Hamilton","year":"2019","journal-title":"Lancet Infect Dis"},{"key":"10.1016\/j.bmcl.2021.127818_h0060","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/j.ddtec.2014.03.002","article-title":"Antimalarial drug resistance: new treatment options for plasmodium","volume":"11","author":"Gamo","year":"2014","journal-title":"Drug Dis Today: Technol"},{"key":"10.1016\/j.bmcl.2021.127818_h0065","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.coph.2018.05.006","article-title":"The antimalarial pipeline","volume":"42","author":"van Huisduijnen","year":"2018","journal-title":"Curr Opin Pharm"},{"key":"10.1016\/j.bmcl.2021.127818_h0070","doi-asserted-by":"crossref","first-page":"10526","DOI":"10.1021\/acs.jmedchem.9b00761","article-title":"The development process for discovery and clinical advancement of modern antimalarials","volume":"62","author":"Ashton","year":"2019","journal-title":"J Med Chem"},{"key":"10.1016\/j.bmcl.2021.127818_h0075","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1097\/00001622-200311000-00003","article-title":"Heat shock protein 90","volume":"15","author":"Len","year":"2003","journal-title":"Curr Opin Oncol"},{"key":"10.1016\/j.bmcl.2021.127818_h0080","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/s10254-003-0021-1","article-title":"Hsp70 and Hsp90 \u2013 a relay team for protein folding","volume":"151","author":"Wegele","year":"2004","journal-title":"Rev Physiol Biochem Pharmacol"},{"key":"10.1016\/j.bmcl.2021.127818_h0085","first-page":"869","article-title":"Identification of a 60-kiloDalton Stress-Related Protein, p60, which Interacts with Hsp90 and Hsp70","volume":"13","author":"Smith","year":"1993","journal-title":"Mol Cell Biol"},{"key":"10.1016\/j.bmcl.2021.127818_h0090","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1016\/S0959-440X(99)00047-0","article-title":"Structure and in vivo function of Hsp90","volume":"10","author":"Pearl","year":"2000","journal-title":"Curr Opin Struct Biol"},{"key":"10.1016\/j.bmcl.2021.127818_h0095","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1016\/S0065-3233(01)59005-1","article-title":"Structure, function, and mechanism of the Hsp90 molecular chaperone","volume":"59","author":"Pearl","year":"2001","journal-title":"Adv Protein Chem"},{"key":"10.1016\/j.bmcl.2021.127818_b0050","doi-asserted-by":"crossref","first-page":"1798","DOI":"10.1021\/acs.jmedchem.9b00940","article-title":"Heat shock protein 90 inhibitors: an update on acheivements, challenges and future directions","volume":"63","author":"Li","year":"2020","journal-title":"J Med Chem"},{"key":"10.1016\/j.bmcl.2021.127818_b0055","doi-asserted-by":"crossref","first-page":"33","DOI":"10.3390\/pathogens2010033","article-title":"Targeting Plasmodium falciparum Hsp90: toward reversing antimalarial resistance","volume":"2","author":"Shahinas","year":"2013","journal-title":"Pathogens"},{"key":"10.1016\/j.bmcl.2021.127818_h0110","doi-asserted-by":"crossref","first-page":"54","DOI":"10.1186\/1475-2875-11-54","article-title":"Anti-malarial activity of geldanamycin derivatives in mice infected with Plasmodium yoelii","volume":"11","author":"Mout","year":"2012","journal-title":"Malar J"},{"key":"10.1016\/j.bmcl.2021.127818_h0115","doi-asserted-by":"crossref","first-page":"37964","DOI":"10.1074\/jbc.M110.155317","article-title":"Heat Shock 90 as a drug target against prtozoan infections","volume":"285","author":"Pallavi","year":"2010","journal-title":"J Biol Chem"},{"key":"10.1016\/j.bmcl.2021.127818_b0065","doi-asserted-by":"crossref","first-page":"579","DOI":"10.1186\/s12936-016-1625-7","article-title":"In vitro and in vivo antimalarial activity of novel harmine-analog heat shock protein 90 inhibitors: a possible partner for artemisinin","volume":"15","author":"Bayih","year":"2016","journal-title":"Malar J"},{"key":"10.1016\/j.bmcl.2021.127818_b0070","doi-asserted-by":"crossref","DOI":"10.1016\/j.bmcl.2020.127502","article-title":"Antimalarial activity of tetrahydro-\u03b2-carbolines targeting the ATP binding pocket of the Plasmodium Falciparum heat shock 90 protein","volume":"30","author":"Eagon","year":"2020","journal-title":"Bioorg Med Chem Lett"},{"key":"10.1016\/j.bmcl.2021.127818_b0075","doi-asserted-by":"crossref","first-page":"14","DOI":"10.1002\/pro.3235","article-title":"UCSF ChimeraX: meeting modern challenges in visualization and analysis","volume":"27","author":"Goddard","year":"2018","journal-title":"Protein Sci"},{"key":"10.1016\/j.bmcl.2021.127818_b0080","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1186\/1758-2946-3-33","article-title":"Open babel: an open chemical toolbox","volume":"3","author":"O\u2019Boyle","year":"2011","journal-title":"J Cheminf"},{"key":"10.1016\/j.bmcl.2021.127818_b0085","doi-asserted-by":"crossref","first-page":"2324","DOI":"10.1021\/acs.jcim.5b00559","article-title":"ZINC15 \u2013 ligand discovery for everyone","volume":"55","author":"Sterling","year":"2015","journal-title":"J Chem Inf Model"},{"key":"10.1016\/j.bmcl.2021.127818_b0090","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1038\/513481a","article-title":"Chemistry: chemical con artists foil drug discovery","volume":"513","author":"Baell","year":"2014","journal-title":"Nature"},{"key":"10.1016\/j.bmcl.2021.127818_b0095","doi-asserted-by":"crossref","first-page":"1893","DOI":"10.1021\/ci300604z","article-title":"Lessons learned in empirical scoring with smina from the CSAR 2011 benchmarking exercise","volume":"53","author":"Koes","year":"2013","journal-title":"J Chem Inf Model"},{"key":"10.1016\/j.bmcl.2021.127818_b0100","doi-asserted-by":"crossref","DOI":"10.1016\/j.jmgm.2020.107532","article-title":"Evaluation of consensus scoring methods for autodock vina, smina and idock","volume":"96","author":"Masters","year":"2020","journal-title":"J Mol Graph Model"},{"key":"10.1016\/j.bmcl.2021.127818_b0105","doi-asserted-by":"crossref","first-page":"747","DOI":"10.1021\/ci9803381","article-title":"Unsupervised data base clustering based on daylight\u2019s fingerprint and tanimoto similarity: a fast and automated way to cluster small and large data sets","volume":"39","author":"Butina","year":"1999","journal-title":"J Chem Inf Comput Sci"},{"key":"10.1016\/j.bmcl.2021.127818_h0165","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1080\/17460441.2019.1581170","article-title":"DataWarrior: an evaluation of the open-source drug discovery tool","volume":"14","author":"Lopez-Lopez","year":"2019","journal-title":"Expert Opin Drug Discov"},{"key":"10.1016\/j.bmcl.2021.127818_h0170","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1021\/ci500588j","article-title":"DataWarrior: an open-source program for chemistry aware data visualization and analysis","volume":"55","author":"Sander","year":"2015","journal-title":"J Chem Inf Model"}],"container-title":["Bioorganic & Medicinal Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X21000445?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0960894X21000445?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,10,18]],"date-time":"2025-10-18T07:38:21Z","timestamp":1760773101000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0960894X21000445"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,3]]},"references-count":34,"alternative-id":["S0960894X21000445"],"URL":"https:\/\/doi.org\/10.1016\/j.bmcl.2021.127818","relation":{},"ISSN":["0960-894X"],"issn-type":[{"value":"0960-894X","type":"print"}],"subject":[],"published":{"date-parts":[[2021,3]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Identification of Plasmodium falciparum heat shock 90 inhibitors via molecular docking","name":"articletitle","label":"Article Title"},{"value":"Bioorganic & Medicinal Chemistry Letters","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bmcl.2021.127818","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2021 The Author(s). Published by Elsevier Ltd.","name":"copyright","label":"Copyright"}],"article-number":"127818"}}