{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T16:38:14Z","timestamp":1790872694968,"version":"4.1.0"},"reference-count":48,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2017,4,1]],"date-time":"2017-04-01T00:00:00Z","timestamp":1491004800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/501100000921","name":"COST","doi-asserted-by":"publisher","award":["CA15135"],"award-info":[{"award-number":["CA15135"]}],"id":[{"id":"10.13039\/501100000921","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["European Journal of Medicinal Chemistry"],"published-print":{"date-parts":[[2017,4]]},"DOI":"10.1016\/j.ejmech.2017.02.054","type":"journal-article","created":{"date-parts":[[2017,2,24]],"date-time":"2017-02-24T10:15:28Z","timestamp":1487931328000},"page":"248-260","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":55,"special_numbering":"C","title":["Natural product-inspired esters and amides of ferulic and caffeic acid as dual inhibitors of HIV-1 reverse transcriptase"],"prefix":"10.1016","volume":"130","author":[{"given":"Vijay P.","family":"Sonar","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Angela","family":"Corona","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Simona","family":"Distinto","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Elias","family":"Maccioni","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rita","family":"Meleddu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Benedetta","family":"Fois","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Costantino","family":"Floris","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nilesh V.","family":"Malpure","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Stefano","family":"Alcaro","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Enzo","family":"Tramontano","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4659-9808","authenticated-orcid":false,"given":"Filippo","family":"Cottiglia","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.ejmech.2017.02.054_bib1","first-page":"2301","article-title":"Anti-HIV drug discovery and development: current innovations and future trends","volume":"59","author":"Zahn","year":"2016","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib2","doi-asserted-by":"crossref","first-page":"93","DOI":"10.1016\/j.antiviral.2013.01.007","article-title":"Molecular basis of immunodeficiency virus type 1 drug resistance; overview and recent developments","volume":"98","author":"Men\u00e8ndes-Arias","year":"2013","journal-title":"Antivir. Res."},{"key":"10.1016\/j.ejmech.2017.02.054_bib3","doi-asserted-by":"crossref","first-page":"40850","DOI":"10.1074\/jbc.R112.389056","article-title":"Human immunodeficiency virus reverse transcriptase: 25 years of research, drug discovery, and promise","volume":"287","author":"Le Grice","year":"2012","journal-title":"J.\u00a0Biol. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib4","doi-asserted-by":"crossref","DOI":"10.2217\/fvl.14.24","article-title":"Can the ever-promising target HIV reverse transcriptase-associated RNase H become a success story for drug development?","volume":"9","author":"Corona","year":"2014","journal-title":"Future Virol."},{"key":"10.1016\/j.ejmech.2017.02.054_bib5","doi-asserted-by":"crossref","first-page":"2127","DOI":"10.4155\/fmc.13.178","article-title":"Active site and allosteric inhibitors of the ribonuclease H activity of HIV reverse transcriptase","volume":"5","author":"Corona","year":"2013","journal-title":"Future Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib6","doi-asserted-by":"crossref","first-page":"129","DOI":"10.3851\/IMP2690","article-title":"Past and future. Current drugs targeting HIV-1 integrase and Reverse Transcriptase-Associated Ribonuclease H activity: single and dual active site inhibitors","volume":"23","author":"Esposito","year":"2014","journal-title":"Antivir. Chem. Chemother."},{"key":"10.1016\/j.ejmech.2017.02.054_bib7","doi-asserted-by":"crossref","first-page":"1850","DOI":"10.2174\/1381612811319100009","article-title":"Molecular aspects of the RT\/drug interactions. Perspective of dual inhibitors","volume":"19","author":"Distinto","year":"2013","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.ejmech.2017.02.054_bib8","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1111\/2049-632X.12051","article-title":"Hypericum hircinum L. components as new single-molecule inhibitors of both HIV-1 reverse transcriptase-associated DNA polymerase and ribonuclease H activities","volume":"68","author":"Esposito","year":"2013","journal-title":"Pathog. Dis."},{"key":"10.1016\/j.ejmech.2017.02.054_bib9","doi-asserted-by":"crossref","first-page":"1383","DOI":"10.1016\/j.phymed.2016.08.001","article-title":"Sennoside A, derived from the traditional chinese medicine plant Rheum L., is a new dual HIV-1 inhibitor effective on HIV-1 replication","volume":"23","author":"Esposito","year":"2016","journal-title":"Phytomedicine"},{"key":"10.1016\/j.ejmech.2017.02.054_bib10","first-page":"291","article-title":"The science behind sacredness of Tulsi (Ocimum sanctum Linn.)","volume":"53","author":"Mondal","year":"2009","journal-title":"Indian J. Physiol. Pharmacol."},{"key":"10.1016\/j.ejmech.2017.02.054_bib11","doi-asserted-by":"crossref","first-page":"251","DOI":"10.4103\/0975-9476.146554","article-title":"Tulsi - Ocimum sanctum: a herb for all reasons","volume":"5","author":"Cohen","year":"2014","journal-title":"J.\u00a0Ayurveda Integr. Med."},{"key":"10.1016\/j.ejmech.2017.02.054_bib12","first-page":"193","article-title":"In-vitro testing of anti-HIV activity of some medicinal plants","volume":"1","author":"Rege","year":"2010","journal-title":"Indian J. Nat. Prod. Resour."},{"key":"10.1016\/j.ejmech.2017.02.054_bib13","doi-asserted-by":"crossref","first-page":"103","DOI":"10.2165\/00126839-200304020-00003","article-title":"Evaluation of the antiretroviral activity of a new polyherbal drug (Immu-25) in patients with HIV infection","volume":"4","author":"Usha","year":"2003","journal-title":"Drugs R. D."},{"key":"10.1016\/j.ejmech.2017.02.054_bib14","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1021\/np500671v","article-title":"Metoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: In silico, in\u00a0vitro and in\u00a0vivo study","volume":"78","author":"Ruiu","year":"2015","journal-title":"J.\u00a0Nat. Prod."},{"key":"10.1016\/j.ejmech.2017.02.054_bib15","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1002\/(SICI)1097-458X(199804)36:4<267::AID-OMR256>3.0.CO;2-6","article-title":"Computer-assisted structure elucidation: application of CISOC\u2013SES to the resonance assignment and structure generation of betulinic acid","volume":"36","author":"Peng","year":"1998","journal-title":"Magn. Reson. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib16","doi-asserted-by":"crossref","first-page":"636","DOI":"10.1002\/mrc.1214","article-title":"Complete assignments of 1H and 13C NMR resonances of oleanolic acid, 18\u03b1-oleanolic acid, ursolic acid and their 11-oxo derivatives","volume":"41","author":"Seebacher","year":"2003","journal-title":"Magn. Reson. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib17","doi-asserted-by":"crossref","first-page":"1655","DOI":"10.1021\/np1003593","article-title":"Cytotoxic hexacyclic triterpene acids from Euscaphis japonica","volume":"73","author":"Cheng","year":"2010","journal-title":"J.\u00a0Nat. Prod."},{"key":"10.1016\/j.ejmech.2017.02.054_bib18","doi-asserted-by":"crossref","first-page":"1898","DOI":"10.1139\/v78-308","article-title":"Identification of C-24 alkyl epimers of marine sterols by 13C nuclear magnetic resonance spectroscopy","volume":"56","author":"Wright","year":"1978","journal-title":"Can. J. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib19","doi-asserted-by":"crossref","first-page":"492","DOI":"10.1039\/p19770000492","article-title":"13C Nuclear magnetic resonance spectroscopy of vanillin derivatives","author":"Erasmuson","year":"1977","journal-title":"J.\u00a0Chem. Soc. Perkin I"},{"key":"10.1016\/j.ejmech.2017.02.054_bib20","doi-asserted-by":"crossref","first-page":"1837","DOI":"10.1016\/S0031-9422(00)82300-6","article-title":"Niloticol, A phenolic glyceride and two phenolic aldehydes from the roots of Tamarix nilotica","volume":"26","author":"Barakat","year":"1987","journal-title":"Phytochemistry"},{"key":"10.1016\/j.ejmech.2017.02.054_bib21","doi-asserted-by":"crossref","first-page":"573","DOI":"10.1016\/S0031-9422(97)00291-4","article-title":"Phenolic metabolites from Erythrina species","volume":"46","author":"Nkengfack","year":"1997","journal-title":"Phytochemistry"},{"key":"10.1016\/j.ejmech.2017.02.054_bib22","doi-asserted-by":"crossref","first-page":"8097","DOI":"10.1016\/j.tet.2014.08.028","article-title":"One-pot esterification and amidation of phenolic acids","volume":"70","author":"Nakamura","year":"2014","journal-title":"Tetrahedron"},{"key":"10.1016\/j.ejmech.2017.02.054_bib23","doi-asserted-by":"crossref","first-page":"6101","DOI":"10.1128\/AAC.03605-14","article-title":"Identification of highly conserved residues involved in inhibition of HIV-1 RNase H function by diketo acid derivatives","volume":"58","author":"Corona","year":"2014","journal-title":"Antimicrob. Agents Chemother."},{"key":"10.1016\/j.ejmech.2017.02.054_bib24","doi-asserted-by":"crossref","first-page":"507","DOI":"10.1007\/s11745-001-0750-4","article-title":"Inhibitory effects of triterpenoids and sterols on human immunodeficiency virus-1 reverse transcriptase","volume":"36","author":"Akihisa","year":"2001","journal-title":"Lipids"},{"key":"10.1016\/j.ejmech.2017.02.054_bib25","doi-asserted-by":"crossref","first-page":"510","DOI":"10.2174\/138955709787847958","article-title":"Capsid (CA) protein as a novel drug target: recent progress in the research of HIV-1 CA inhibitors","volume":"9","author":"Zhang","year":"2009","journal-title":"Mini Rev. Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib26","doi-asserted-by":"crossref","first-page":"376","DOI":"10.1016\/j.ejmech.2016.05.055","article-title":"New cinnamic e N-benzylpiperidine and cinnamic e N,N-dibenzyl(N-methyl)amine hybrids as Alzheimer-directed multitarget drugs with antioxidant, cholinergic, neuroprotective and neurogenic properties","volume":"121","author":"Estrada","year":"2016","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib27","doi-asserted-by":"crossref","first-page":"784","DOI":"10.1016\/j.ejmech.2016.09.052","article-title":"Discovery of novel rivastigmine-hydroxycinnamic acid hybrids as multi-targeted agents for Alzheimer's disease","volume":"125","author":"Chen","year":"2017","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib28","doi-asserted-by":"crossref","first-page":"7074","DOI":"10.1016\/j.bmc.2013.09.017","article-title":"N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors","volume":"21","author":"Ruiu","year":"2013","journal-title":"Bioorg. Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib29","doi-asserted-by":"crossref","first-page":"6413","DOI":"10.1021\/jm900854h","article-title":"Conformational landscape of the Human Immunodeficiency Virus Type 1 reverse transcriptase non-nucleoside inhibitor binding pocket: lessons for inhibitor design from a cluster analysis of many crystal structures","volume":"52","author":"Paris","year":"2009","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib30","doi-asserted-by":"crossref","first-page":"e0147225","DOI":"10.1371\/journal.pone.0147225","article-title":"Ribonuclease H\/DNA polymerase HIV-1 reverse transcriptase dual inhibitor: mechanistic studies on the allosteric mode of action of isatin-based compound RMNC6","volume":"11","author":"Corona","year":"2016","journal-title":"PLoS One"},{"key":"10.1016\/j.ejmech.2017.02.054_bib31","doi-asserted-by":"crossref","first-page":"1869","DOI":"10.1002\/cmdc.201402015","article-title":"Design, synthesis, and biological evaluation of 1,3-diarylpropenones as dual inhibitors of HIV-1 reverse transcriptase","volume":"9","author":"Meleddu","year":"2014","journal-title":"ChemMedChem"},{"key":"10.1016\/j.ejmech.2017.02.054_bib32","doi-asserted-by":"crossref","first-page":"4861","DOI":"10.1021\/jm9803471","article-title":"Exploration of biologically relevant conformations of anandamide, 2-arachidonylglycerol, and their analogues using conformational memories","volume":"41","author":"Barnett-Norris","year":"1998","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib33","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1471-2105-9-184","article-title":"MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening","volume":"9","author":"Sauton","year":"2008","journal-title":"BMC Bioinforma."},{"key":"10.1016\/j.ejmech.2017.02.054_bib34","doi-asserted-by":"crossref","first-page":"742","DOI":"10.1002\/jcc.21643","article-title":"Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database","volume":"32","author":"Plewczynski","year":"2011","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib35","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1002\/prot.20088","article-title":"A\u00a0detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance","volume":"56","author":"Perola","year":"2004","journal-title":"Proteins Struct. Funct. Bioinf"},{"key":"10.1016\/j.ejmech.2017.02.054_bib36","unstructured":"Schr\u00f6dinger LLC., QMPolarized Protocol. Schrodinger Suite: New York, NY, USA."},{"key":"10.1016\/j.ejmech.2017.02.054_bib37","first-page":"702","article-title":"HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site","volume":"20","author":"Himmel","year":"2016","journal-title":"ACS Chem. Biol."},{"key":"10.1016\/j.ejmech.2017.02.054_bib38","doi-asserted-by":"crossref","first-page":"500","DOI":"10.1016\/S0076-6879(82)87028-6","article-title":"The Yonetani-Theorell graphical method for examining overlapping subsites of enzyme active centers","volume":"87","author":"Yonetani","year":"1982","journal-title":"Methods Enzymol."},{"key":"10.1016\/j.ejmech.2017.02.054_bib39","doi-asserted-by":"crossref","first-page":"440","DOI":"10.1002\/jcc.540110405","article-title":"Macromodel-an integrated software system for modeling organic and bioorganic molecules using molecular mechanics","volume":"11","author":"Mohamadi","year":"1990","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib40","doi-asserted-by":"crossref","first-page":"520","DOI":"10.1002\/(SICI)1096-987X(199604)17:5\/6<520::AID-JCC2>3.0.CO;2-W","article-title":"Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions","volume":"17","author":"Halgren","year":"1996","journal-title":"J.\u00a0Comput. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib41","doi-asserted-by":"crossref","first-page":"6127","DOI":"10.1021\/ja00172a038","article-title":"Semianalytical treatment of solvation for molecular mechanics and dynamics","volume":"112","author":"Still","year":"1990","journal-title":"J.\u00a0Am. Chem. Soc."},{"key":"10.1016\/j.ejmech.2017.02.054_bib42","doi-asserted-by":"crossref","first-page":"7743","DOI":"10.1016\/0040-4039(93)88034-G","article-title":"AMBER torsional parameters for the peptide backbone","volume":"33","author":"McDonald","year":"1992","journal-title":"Tetrahedron Lett."},{"key":"10.1016\/j.ejmech.2017.02.054_bib43","unstructured":"PyMOL, Molecular Graphics System. Schr\u00f6dinger, LLC."},{"key":"10.1016\/j.ejmech.2017.02.054_bib44","series-title":"Maestro GUI","year":"2013"},{"key":"10.1016\/j.ejmech.2017.02.054_bib45","doi-asserted-by":"crossref","first-page":"1915","DOI":"10.1021\/jm501799k","article-title":"Structure-activity relationship of pyrrolyl diketo acid derivatives as dual inhibitors of HIV-1 integrase and reverse transcriptase ribonuclease H domain","volume":"58","author":"Cuzzucoli Crucitti","year":"2015","journal-title":"J.\u00a0Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib46","first-page":"288","article-title":"From the traditional Chinese medicine plant Schisandra chinensis new scaffolds effective on HIV-1 reverse transcriptase resistant to non-nucleoside inhibitors","volume":"53","author":"Xu","year":"2015","journal-title":"J.\u00a0Microbiol."},{"key":"10.1016\/j.ejmech.2017.02.054_bib47","doi-asserted-by":"crossref","first-page":"452","DOI":"10.1016\/j.ejmech.2015.02.032","article-title":"(3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase","volume":"93","author":"Meleddu","year":"2015","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.ejmech.2017.02.054_bib48","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1002\/cbic.201500668","article-title":"Inhibition of HIV-1 reverse transcriptase dimerization by small molecules","volume":"17","author":"Tintori","year":"2016","journal-title":"ChemBioChem"}],"container-title":["European Journal of Medicinal Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523417301277?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0223523417301277?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,6,22]],"date-time":"2024-06-22T17:39:22Z","timestamp":1719077962000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0223523417301277"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,4]]},"references-count":48,"alternative-id":["S0223523417301277"],"URL":"https:\/\/doi.org\/10.1016\/j.ejmech.2017.02.054","relation":{},"ISSN":["0223-5234"],"issn-type":[{"value":"0223-5234","type":"print"}],"subject":[],"published":{"date-parts":[[2017,4]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Natural product-inspired esters and amides of ferulic and caffeic acid as dual inhibitors of HIV-1 reverse transcriptase","name":"articletitle","label":"Article Title"},{"value":"European Journal of Medicinal Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.ejmech.2017.02.054","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2017 Elsevier Masson SAS. All rights reserved.","name":"copyright","label":"Copyright"}]}}