{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T13:07:14Z","timestamp":1780319234479,"version":"3.54.1"},"reference-count":27,"publisher":"FapUNIFESP (SciELO)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Mem. Inst. Oswaldo Cruz"],"published-print":{"date-parts":[[2015,4]]},"DOI":"10.1590\/0074-02760140415","type":"journal-article","created":{"date-parts":[[2015,4,29]],"date-time":"2015-04-29T23:56:50Z","timestamp":1430351810000},"page":"255-258","source":"Crossref","is-referenced-by-count":14,"title":["Structure-based drug design studies of the interactions ofent-kaurane diterpenes derived from Wedelia paludosa with the Plasmodium falciparumsarco\/endoplasmic reticulum Ca2+-ATPase PfATP6"],"prefix":"10.1590","volume":"110","author":[{"given":"Daniel Silqueira Martins","family":"Guimar\u00e3es","sequence":"first","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Amanda Luisa da","family":"Fonseca","sequence":"additional","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil; Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil; Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ronan","family":"Batista","sequence":"additional","affiliation":[{"name":"Universidade Federal da Bahia, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Moacyr","family":"Comar Junior","sequence":"additional","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ala\u00edde Braga de","family":"Oliveira","sequence":"additional","affiliation":[{"name":"Universidade Federal de Minas Gerais, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alex Gutterres","family":"Taranto","sequence":"additional","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fernando de Pilla","family":"Varotti","sequence":"additional","affiliation":[{"name":"Universidade Federal de S\u00e3o Jo\u00e3o del-Rei, Brasil"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"530","reference":[{"key":"ref1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.molbiopara.2011.09.010","article-title":"The role of melatonin in parasite biology","volume":"181","author":"Bagnaresi P","year":"2012","journal-title":"Mol Biochem Parasitol"},{"key":"ref2","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1016\/j.ejmech.2012.12.010","article-title":"Synthesis, cytotoxicity and antiplasmodial activity of novel ent-kaurane derivatives","volume":"62","author":"Batista R","year":"2013","journal-title":"Eur J Med Chem"},{"key":"ref3","doi-asserted-by":"crossref","first-page":"218","DOI":"10.1002\/bip.22132","article-title":"The future of the protein data bank","volume":"99","author":"Berman HM","year":"2013","journal-title":"Biopolymers"},{"key":"ref4","doi-asserted-by":"crossref","DOI":"10.1186\/1758-2946-1-15","article-title":"Application of the PM6 semi-empirical method to modeling proteins enhances docking accuracy of AutoDock","volume":"1","author":"Bikadi Z","year":"2009","journal-title":"J Cheminform"},{"key":"ref5","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/nprot.2008.197","article-title":"Protein structure homology modeling using SWISS-MODEL workspace","volume":"4","author":"Bordoli L","year":"2009","journal-title":"Nat Protoc"},{"key":"ref6","series-title":"AMBER","volume":"11","author":"Case D","year":"2010"},{"key":"ref7","doi-asserted-by":"crossref","first-page":"2546","DOI":"10.1128\/AAC.05943-11","article-title":"Lack of association of the S769N mutation in Plasmodium falciparum SERCA (PfATP6) with resistance to artemisinins","volume":"56","author":"Cui L","year":"2012","journal-title":"Antimicrob Agents Chemother"},{"key":"ref8","series-title":"Gaussian 09","author":"Frisch MJ","year":"2009"},{"key":"ref9","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/j.bbrc.2014.02.070","article-title":"An interplay between 2 signaling pathways: melatonin-cAMP and IP3-Ca2+ signaling pathways control intraerythrocytic development of the malaria parasite Plasmodium falciparum","volume":"446","author":"Furuyama W","year":"2014","journal-title":"Biochem Biophys Res Commun"},{"key":"ref10","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1038\/nature01097","article-title":"Genome sequence of the human malaria parasite Plasmodium falciparum","volume":"419","author":"Gardner MJ","year":"2002","journal-title":"Nature"},{"key":"ref11","doi-asserted-by":"crossref","first-page":"517","DOI":"10.1016\/j.pt.2010.06.014","article-title":"Artemisinins and the biological basis for the PfATP6\/SERCA hypothesis","volume":"26","author":"Krishna S","year":"2010","journal-title":"Trends Parasitol"},{"key":"ref12","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1016\/j.tips.2013.10.007","article-title":"Pumped up: reflections on PfATP6 as the target for artemisinins","volume":"35","author":"Krishna S","year":"2014","journal-title":"Trends Pharmacol Sci"},{"key":"ref13","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1107\/S0021889892009944","article-title":"PROCHECK: a program to check the stereochemical quality of protein structures","volume":"26","author":"Laskowski RA","year":"1993","journal-title":"J Appl Crystallogr"},{"key":"ref14","doi-asserted-by":"crossref","first-page":"620","DOI":"10.1002\/prot.10470","article-title":"Distinguish protein decoys by using a scoring function based on a new AMBER force field, short molecular dynamics simulations and the generalized born solvent model","volume":"55","author":"Lee MC","year":"2004","journal-title":"Proteins"},{"key":"ref15","first-page":"59","article-title":"Mal\u00e1ria: dos velhos f\u00e1rmacos aos novos alvos moleculares","volume":"2","author":"Leite FHA","year":"2013","journal-title":"Biol Biomed Rep"},{"key":"ref16","doi-asserted-by":"crossref","first-page":"1635","DOI":"10.2174\/1568026614666140808152357","article-title":"The medicinal chemistry and drug development of novel antimalarials","volume":"14","author":"M\u00e9debielle M","year":"2014","journal-title":"Curr Top Med Chem"},{"key":"ref17","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1371\/journal.pone.0023867","article-title":"Plasmodium falciparum metacaspase PfMCA-1 triggers a z-VAD-fmk inhibitable protease to promote cell death","volume":"6","author":"Meslin B","year":"2011","journal-title":"PLoS ONE"},{"key":"ref18","doi-asserted-by":"crossref","first-page":"156","DOI":"10.1038\/nm.3073","article-title":"Malaria biology and disease pathogenesis: insights for new treatments","volume":"19","author":"Miller LH","year":"2013","journal-title":"Nat Med"},{"key":"ref19","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1007\/s00894-010-0726-4","article-title":"The binding modes and binding affinities of artemisinin derivatives with Plasmodium falciparum Ca2+-ATPase (PfATP6)","volume":"17","author":"Naik PK","year":"2011","journal-title":"J Mol Model"},{"key":"ref20","doi-asserted-by":"crossref","DOI":"10.1038\/nrmicro3423","article-title":"Propelling artemisinin resistance","volume":"13","author":"Nunes-Alves C","year":"2014","journal-title":"Nat Rev Microbiol"},{"key":"ref21","doi-asserted-by":"crossref","first-page":"198","DOI":"10.1002\/wcms.1121","article-title":"An overview of the amber biomolecular simulation package","volume":"3","author":"Salomon-Ferrer R","year":"2013","journal-title":"Wiley Interdiscip Rev Comput Mol Sci"},{"key":"ref22","doi-asserted-by":"crossref","first-page":"1173","DOI":"10.1007\/s00894-007-0233-4","article-title":"Optimization of parameters for semiempirical methods. V. Modification of NDDO approximations and application to 70 elements","volume":"13","author":"Stewart JJP","year":"2007","journal-title":"J Mol Model"},{"key":"ref23","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1016\/j.taap.2014.05.005","article-title":"Aconitine-induced Ca2+ overload causes arrhythmia and triggers apoptosis through p38 MAPK signaling pathway in rats","volume":"279","author":"Sun G-B","year":"2014","journal-title":"Toxicol Appl Pharmacol"},{"key":"ref24","doi-asserted-by":"crossref","first-page":"605","DOI":"10.1038\/nature00944","article-title":"Structural changes in the calcium pump accompanying the dissociation of calcium","volume":"418","author":"Toyoshima C","year":"2002","journal-title":"Nature"},{"key":"ref25","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1002\/jcc.21334","article-title":"AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading","volume":"31","author":"Trott O","year":"2010","journal-title":"J Comput Chem"},{"key":"ref26","doi-asserted-by":"crossref","first-page":"3842","DOI":"10.1128\/AAC.00121-10","article-title":"Investigations into the role of the Plasmodium falciparum SERCA (PfATP6) L263E mutation in artemisinin action and resistance","volume":"54","author":"Valderramos SG","year":"2010","journal-title":"Antimicrob Agents Chemother"},{"key":"ref27","series-title":"World Malaria Report 2013","year":"2013"}],"container-title":["Mem\u00f3rias do Instituto Oswaldo Cruz"],"original-title":[],"link":[{"URL":"http:\/\/www.scielo.br\/pdf\/mioc\/v110n2\/0074-0276-mioc-110-2-0255.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,5,27]],"date-time":"2025-05-27T18:00:25Z","timestamp":1748368825000},"score":1,"resource":{"primary":{"URL":"http:\/\/www.scielo.br\/scielo.php?script=sci_arttext&pid=S0074-02762015000200255&lng=en&tlng=en"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,4]]},"references-count":27,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2015,4]]}},"alternative-id":["S0074-02762015000200255"],"URL":"https:\/\/doi.org\/10.1590\/0074-02760140415","relation":{},"ISSN":["0074-0276"],"issn-type":[{"value":"0074-0276","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,4]]}}}