{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,12]],"date-time":"2026-04-12T22:32:43Z","timestamp":1776033163601,"version":"3.50.1"},"reference-count":42,"publisher":"Public Library of Science (PLoS)","issue":"6","license":[{"start":{"date-parts":[[2013,6,7]],"date-time":"2013-06-07T00:00:00Z","timestamp":1370563200000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS ONE"],"DOI":"10.1371\/journal.pone.0064984","type":"journal-article","created":{"date-parts":[[2013,6,8]],"date-time":"2013-06-08T15:05:49Z","timestamp":1370703949000},"page":"e64984","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":15,"title":["3-Oxoacyl-ACP Reductase from Schistosoma japonicum: Integrated In Silico-In Vitro Strategy for Discovering Antischistosomal Lead Compounds"],"prefix":"10.1371","volume":"8","author":[{"given":"Jian","family":"Liu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dave","family":"Dyer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jipeng","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shuqi","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiaofeng","family":"Du","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bin","family":"Xu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Haobing","family":"Zhang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Xiaoning","family":"Wang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wei","family":"Hu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"340","published-online":{"date-parts":[[2013,6,7]]},"reference":[{"key":"ref1","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1016\/S1473-3099(06)70521-7","article-title":"Schistosomiasis and water resources development: systematic review, meta-analysis, and estimates of people at risk","volume":"6","author":"P Steinmann","year":"2006","journal-title":"Lancet Infect Dis"},{"key":"ref2","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1016\/j.actatropica.2009.11.012","article-title":"Parasites and poverty: the case of schistosomiasis","volume":"113","author":"CH King","year":"2010","journal-title":"Acta Trop"},{"key":"ref3","first-page":"5","article-title":"[Current endemic situation and control strategy of schistosomiasis in lake and marshland regions in China]","volume":"23","author":"HC Chen","year":"2011","journal-title":"Zhongguo Xue Xi Chong Bing Fang Zhi Za Zhi"},{"key":"ref4","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1016\/j.actatropica.2005.07.011","article-title":"Use of praziquantel for clinical treatment and morbidity control of <italic>schistosomiasis japonica<\/italic> in China: a review of 30 years&apos; experience","volume":"96","author":"MG Chen","year":"2005","journal-title":"Acta Trop"},{"key":"ref5","doi-asserted-by":"crossref","first-page":"e504","DOI":"10.1371\/journal.pntd.0000504","article-title":"Reduced susceptibility to praziquantel among naturally occurring Kenyan isolates of <italic>Schistosoma mansoni<\/italic>","volume":"3","author":"SD Melman","year":"2009","journal-title":"PLoS Negl Trop Dis"},{"key":"ref6","doi-asserted-by":"crossref","first-page":"342","DOI":"10.4269\/ajtmh.2006.74.342","article-title":"Failure of standard treatment with praziquantel in two returned travelers with <italic>Schistosoma haematobium<\/italic> infection","volume":"74","author":"D Alonso","year":"2006","journal-title":"Am J Trop Med Hyg"},{"key":"ref7","doi-asserted-by":"crossref","first-page":"1905","DOI":"10.1017\/S0031182010001204","article-title":"Is there reduced susceptibility to praziquantel in <italic>Schistosoma japonicum<\/italic>? Evidence from China","volume":"137","author":"W Wang","year":"2010","journal-title":"Parasitology"},{"key":"ref8","first-page":"383","article-title":"[Bounds of change in unsaturation index of fatty acid composition of phospholipids at adaptation of molluscs to biogenic and abiogenic factors of external medium]","volume":"47","author":"MA Chebotareva","year":"2011","journal-title":"Zh Evol Biokhim Fiziol"},{"key":"ref9","doi-asserted-by":"crossref","first-page":"12486","DOI":"10.1021\/jf203366z","article-title":"Characterization of sphingolipids from sunflower seeds with altered fatty acid composition","volume":"59","author":"JJ Salas","year":"2011","journal-title":"J Agric Food Chem"},{"key":"ref10","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1073\/pnas.012606199","article-title":"Effect of a fatty acid synthase inhibitor on food intake and expression of hypothalamic neuropeptides","volume":"99","author":"T Shimokawa","year":"2002","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref11","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.abb.2007.12.002","article-title":"<italic>Mycobacterium tuberculosis<\/italic> beta-ketoacyl-ACP reductase: alpha-secondary kinetic isotope effects and kinetic and equilibrium mechanisms of substrate binding","volume":"471","author":"RG Silva","year":"2008","journal-title":"Arch Biochem Biophys"},{"key":"ref12","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1016\/S0006-291X(03)00321-8","article-title":"Functional characterization of beta-ketoacyl-ACP reductase (FabG) from <italic>Plasmodium falciparum<\/italic>","volume":"303","author":"S Pillai","year":"2003","journal-title":"Biochem Biophys Res Commun"},{"key":"ref13","doi-asserted-by":"crossref","first-page":"1667","DOI":"10.1016\/j.chembiol.2004.09.016","article-title":"Head-to-head coiled arrangement of the subunits of the animal fatty acid synthase","volume":"11","author":"A Witkowski","year":"2004","journal-title":"Chem Biol"},{"key":"ref14","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0005-2760(96)00056-2","article-title":"<italic>Escherichia coli<\/italic> as a model for the regulation of dissociable (type II) fatty acid biosynthesis","volume":"1302","author":"CO Rock","year":"1996","journal-title":"Biochim Biophys Acta"},{"key":"ref15","doi-asserted-by":"crossref","unstructured":"Lykidis A, Ivanova N (2008) Genomic prospecting for microbial biodiesel production. Bioenergy: 407\u2013418.","DOI":"10.1128\/9781555815547.ch31"},{"key":"ref16","doi-asserted-by":"crossref","first-page":"315","DOI":"10.1042\/bj3340315","article-title":"5-Octadecenoic acid: evidence for a novel type of fatty acid modification in schistosomes","volume":"2)","author":"JF Brouwers","year":"1998","journal-title":"Biochem J 334 (Pt"},{"key":"ref17","doi-asserted-by":"crossref","first-page":"13064","DOI":"10.1021\/bi0611210","article-title":"<italic>Mycobacterium tuberculosis<\/italic> beta-ketoacyl-acyl carrier protein (ACP) reductase: kinetic and chemical mechanisms","volume":"45","author":"RG Silva","year":"2006","journal-title":"Biochemistry"},{"key":"ref18","doi-asserted-by":"crossref","first-page":"537","DOI":"10.1016\/S1359-6446(01)01774-3","article-title":"Bacterial fatty-acid biosynthesis: a genomics-driven target for antibacterial drug discovery","volume":"6","author":"DJ Payne","year":"2001","journal-title":"Drug Discov Today"},{"key":"ref19","doi-asserted-by":"crossref","first-page":"12772","DOI":"10.1021\/bi010737g","article-title":"Structure of beta-ketoacyl-[acyl carrier protein] reductase from <italic>Escherichia coli<\/italic>: negative cooperativity and its structural basis","volume":"40","author":"AC Price","year":"2001","journal-title":"Biochemistry"},{"key":"ref20","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1016\/S0022-2836(02)00463-1","article-title":"Crystal structure of MabA from <italic>Mycobacterium tuberculosis<\/italic>, a reductase involved in long-chain fatty acid biosynthesis","volume":"320","author":"M Cohen-Gonsaud","year":"2002","journal-title":"J Mol Biol"},{"key":"ref21","doi-asserted-by":"crossref","first-page":"16753","DOI":"10.1021\/bi050947j","article-title":"Kinetic and chemical mechanisms of the fabG-encoded <italic>Streptococcus pneumoniae<\/italic> beta-ketoacyl-ACP reductase","volume":"44","author":"MP Patel","year":"2005","journal-title":"Biochemistry"},{"key":"ref22","doi-asserted-by":"crossref","first-page":"447","DOI":"10.1042\/BJ20050832","article-title":"Kinetic, inhibition and structural studies on 3-oxoacyl-ACP reductase from <italic>Plasmodium falciparum<\/italic>, a key enzyme in fatty acid biosynthesis","volume":"393","author":"SR Wickramasinghe","year":"2006","journal-title":"Biochem J"},{"key":"ref23","doi-asserted-by":"crossref","first-page":"e206","DOI":"10.1371\/journal.pmed.0040206","article-title":"Thioredoxin glutathione reductase from <italic>Schistosoma mansoni<\/italic>: an essential parasite enzyme and a key drug target","volume":"4","author":"AN Kuntz","year":"2007","journal-title":"PLoS Med"},{"key":"ref24","doi-asserted-by":"crossref","first-page":"1693","DOI":"10.1021\/ci100128k","article-title":"Discovery of new inhibitors of <italic>Schistosoma mansoni<\/italic> PNP by pharmacophore-based virtual screening","volume":"50","author":"MP Postigo","year":"2010","journal-title":"J Chem Inf Model"},{"key":"ref25","doi-asserted-by":"crossref","first-page":"e127","DOI":"10.1371\/journal.pntd.0000127","article-title":"Quantitative high-throughput screen identifies inhibitors of the <italic>Schistosoma mansoni<\/italic> redox cascade","volume":"2","author":"A Simeonov","year":"2008","journal-title":"PLoS Negl Trop Dis"},{"key":"ref26","doi-asserted-by":"crossref","unstructured":"Thompson JD, Gibson TJ, Higgins DG (2002) Multiple sequence alignment using ClustalW and ClustalX. Curr Protoc Bioinformatics Chapter 2: Unit 2 3.","DOI":"10.1002\/0471250953.bi0203s00"},{"key":"ref27","doi-asserted-by":"crossref","first-page":"37","DOI":"10.1002\/prot.23177","article-title":"Assessment of template based protein structure predictions in CASP9","volume":"79","author":"V Mariani","year":"2011","journal-title":"Proteins"},{"key":"ref28","doi-asserted-by":"crossref","first-page":"19387","DOI":"10.1074\/jbc.M208146200","article-title":"The crystal structure and stereospecificity of levodione reductase from <italic>Corynebacterium aquaticum<\/italic> M-13","volume":"278","author":"S Sogabe","year":"2003","journal-title":"J Biol Chem"},{"key":"ref29","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"46","author":"CA Lipinski","year":"2001","journal-title":"Adv Drug Deliv Rev"},{"key":"ref30","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1007\/s00436-009-1656-x","article-title":"The <italic>in vitro<\/italic> effect of mefloquine and praziquantel against juvenile and adult <italic>Schistosoma japonicum<\/italic>","volume":"106","author":"SH Xiao","year":"2009","journal-title":"Parasitol Res"},{"key":"ref31","doi-asserted-by":"crossref","first-page":"95","DOI":"10.1263\/jbb.106.95","article-title":"Comparative effect of overexpressed phaJ and fabG genes supplementing (R)-3-hydroxyalkanoate monomer units on biosynthesis of mcl-polyhydroxyalkanoate in <italic>Pseudomonas putida KCTC1639<\/italic>","volume":"106","author":"MT Vo","year":"2008","journal-title":"J Biosci Bioeng"},{"key":"ref32","first-page":"1895","article-title":"Studies on the mechanism of fatty acid synthesis. XXV. On the mechanism of beta-ketoacylacyl carrier protein reductase from <italic>Escherichia coli<\/italic>","volume":"246","author":"H Schulz","year":"1971","journal-title":"J Biol Chem"},{"key":"ref33","doi-asserted-by":"crossref","first-page":"40180","DOI":"10.1074\/jbc.M007633200","article-title":"The thioredoxin system of the malaria parasite <italic>Plasmodium falciparum<\/italic>. Glutathione reduction revisited","volume":"275","author":"SM Kanzok","year":"2000","journal-title":"J Biol Chem"},{"key":"ref34","doi-asserted-by":"crossref","first-page":"3005","DOI":"10.1021\/ci2001764","article-title":"Identification of the <italic>Schistosoma mansoni<\/italic> molecular target for the antimalarial drug artemether","volume":"51","author":"R Lepore","year":"2011","journal-title":"J Chem Inf Model"},{"key":"ref35","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1016\/0166-6851(87)90147-2","article-title":"The phospholipid and fatty acid composition of <italic>Schistosoma mansoni<\/italic> and of its purified tegumental membranes","volume":"23","author":"D Allan","year":"1987","journal-title":"Mol Biochem Parasitol"},{"key":"ref36","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1016\/S0014-5793(00)02128-1","article-title":"Kinetic mechanism of NADH-enoyl-ACP reductase from <italic>Brassica napus<\/italic>","volume":"484","author":"T Fawcett","year":"2000","journal-title":"FEBS Lett"},{"key":"ref37","doi-asserted-by":"crossref","first-page":"923","DOI":"10.1107\/S0907444907024158","article-title":"Lack of dynamics in the MabA active site kills the enzyme activity: practical consequences for drug-design studies","volume":"63","author":"G Poncet-Montange","year":"2007","journal-title":"Acta Crystallogr D Biol Crystallogr"},{"key":"ref38","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1016\/j.str.2004.02.008","article-title":"Cofactor-induced conformational rearrangements establish a catalytically competent active site and a proton relay conduit in FabG","volume":"12","author":"AC Price","year":"2004","journal-title":"Structure"},{"key":"ref39","doi-asserted-by":"crossref","first-page":"1487","DOI":"10.1128\/AAC.47.5.1487-1495.2003","article-title":"Combination chemotherapy of schistosomiasis in laboratory studies and clinical trials","volume":"47","author":"J Utzinger","year":"2003","journal-title":"Antimicrob Agents Chemother"},{"key":"ref40","doi-asserted-by":"crossref","first-page":"7069","DOI":"10.1016\/j.bmc.2012.10.002","article-title":"Optimization and structure-activity relationships of a series of potent inhibitors of methicillin-resistant <italic>Staphylococcus aureus<\/italic> (MRSA) pyruvate kinase as novel antimicrobial agents","volume":"20","author":"NS Kumar","year":"2012","journal-title":"Bioorg Med Chem"},{"key":"ref41","doi-asserted-by":"crossref","first-page":"3687","DOI":"10.1021\/jm2012326","article-title":"Structure-activity relationships and optimization of 3,5-dichloropyridine derivatives as novel P2X(7) receptor antagonists","volume":"55","author":"WG Lee","year":"2012","journal-title":"J Med Chem"},{"key":"ref42","doi-asserted-by":"crossref","first-page":"4654","DOI":"10.1074\/jbc.275.7.4654","article-title":"Inhibition of the <italic>Staphylococcus aureus<\/italic> NADPH-dependent enoyl-acyl carrier protein reductase by triclosan and hexachlorophene","volume":"275","author":"RJ Heath","year":"2000","journal-title":"J Biol Chem"}],"container-title":["PLoS ONE"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/dx.plos.org\/10.1371\/journal.pone.0064984","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,7,15]],"date-time":"2019-07-15T00:39:10Z","timestamp":1563151150000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0064984"}},"subtitle":[],"editor":[{"given":"Yanchang","family":"Wang","sequence":"first","affiliation":[],"role":[{"role":"editor","vocabulary":"crossref"}]}],"short-title":[],"issued":{"date-parts":[[2013,6,7]]},"references-count":42,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2013,6,7]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pone.0064984","relation":{},"ISSN":["1932-6203"],"issn-type":[{"value":"1932-6203","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,6,7]]}}}