{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,7]],"date-time":"2026-02-07T18:04:02Z","timestamp":1770487442952,"version":"3.49.0"},"reference-count":27,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2016,12,1]],"date-time":"2016-12-01T00:00:00Z","timestamp":1480550400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2016,8,19]],"date-time":"2016-08-19T00:00:00Z","timestamp":1471564800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Biochemistry and Biophysics Reports"],"published-print":{"date-parts":[[2016,12]]},"DOI":"10.1016\/j.bbrep.2016.08.020","type":"journal-article","created":{"date-parts":[[2016,8,24]],"date-time":"2016-08-24T11:16:58Z","timestamp":1472037418000},"page":"192-199","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":9,"special_numbering":"C","title":["Modeling, molecular docking, probing catalytic binding mode of acetyl-CoA malate synthase G in Brucella melitensis 16M"],"prefix":"10.1016","volume":"8","author":[{"given":"Pradeepkiran Jangampalli","family":"Adi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nanda Kumar","family":"Yellapu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Bhaskar","family":"Matcha","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.bbrep.2016.08.020_bib1","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1146\/annurev.micro.52.1.127","article-title":"Regulation of acetate metabolism by protein phosphorylation in enteric bacteria","volume":"52","author":"Cozzone","year":"1998","journal-title":"Annu. Rev. Microbiol."},{"key":"10.1016\/j.bbrep.2016.08.020_bib2","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1471-2091-10-20","article-title":"Biochemical characterization of malate synthase G of P. aeruginosa","volume":"10","author":"Roucourt","year":"2009","journal-title":"BMC Biochem."},{"key":"10.1016\/j.bbrep.2016.08.020_bib3","doi-asserted-by":"crossref","first-page":"1557","DOI":"10.1007\/s00249-010-0598-7","article-title":"A functionally active dimer of mycobacterium tuberculosis malate synthase G","volume":"39","author":"Kumar","year":"2010","journal-title":"Eur. Biophys. J."},{"key":"10.1016\/j.bbrep.2016.08.020_bib4","doi-asserted-by":"crossref","first-page":"1735","DOI":"10.1074\/jbc.M209248200","article-title":"Biochemical and structural studies of malate synthase from Mycobacterium tuberculosis","volume":"278","author":"Smith","year":"2003","journal-title":"J. Biol. Chem."},{"key":"10.1016\/j.bbrep.2016.08.020_bib5","doi-asserted-by":"crossref","first-page":"1691","DOI":"10.2147\/DDDT.S76948","article-title":"Complete genome-wide screening and subtractive genomic approach revealed new virulence factors, potential drug targets against bio-war pathogen Brucella melitensis 16M","volume":"9","author":"Pradeepkiran","year":"2015","journal-title":"Drug Des. Dev. Ther."},{"key":"10.1016\/j.bbrep.2016.08.020_bib6","doi-asserted-by":"crossref","first-page":"84","DOI":"10.2174\/156802610790232314","article-title":"Template-based protein modeling: recent methodological advances","volume":"10","author":"Daga","year":"2010","journal-title":"Curr. Top. Med. Chem."},{"key":"10.1016\/j.bbrep.2016.08.020_bib7","doi-asserted-by":"crossref","first-page":"e1000727","DOI":"10.1371\/journal.pcbi.1000727","article-title":"Accuracy of protein-protein binding sites in high-throughput template-based modeling","volume":"6","author":"Kundrotas","year":"2010","journal-title":"PLoS Comput. Biol."},{"key":"10.1016\/j.bbrep.2016.08.020_bib8","doi-asserted-by":"crossref","first-page":"155","DOI":"10.1007\/978-1-60761-931-4_8","article-title":"Docking methods for structure-based library design","volume":"685","author":"Cavasotto","year":"2011","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.bbrep.2016.08.020_bib9","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1006\/jmbi.1993.1626","article-title":"Comparative protein modelling by satisfaction of spatial restraints","volume":"234","author":"Sali","year":"1993","journal-title":"J. Mol. Biol."},{"key":"10.1016\/j.bbrep.2016.08.020_bib10","doi-asserted-by":"crossref","first-page":"3352","DOI":"10.1093\/nar\/gkg512","article-title":"CASTp: computed atlas of surface topography of proteins","volume":"31","author":"Binkowski","year":"2003","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bbrep.2016.08.020_bib11","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1002\/pro.2431","article-title":"Mycobacterium tuberculosis RpfE crystal structure reveals a positively charged catalytic cleft","volume":"23","author":"Mavrici","year":"2014","journal-title":"Protein Sci."},{"key":"10.1016\/j.bbrep.2016.08.020_bib12","doi-asserted-by":"crossref","first-page":"243","DOI":"10.1007\/978-1-4939-2269-7_19","article-title":"Small-molecule library screening by docking with PyRx","volume":"1263","author":"Dallakyan","year":"2015","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.bbrep.2016.08.020_bib13","doi-asserted-by":"crossref","DOI":"10.1002\/0471250953.bi0814s24","article-title":"Using AutoDock for ligand-receptor docking","author":"Morris","year":"2008","journal-title":"Curr. Protoc. Bioinforma."},{"key":"10.1016\/j.bbrep.2016.08.020_bib14","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","year":"2010","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbrep.2016.08.020_bib15","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1186\/1471-2105-9-396","article-title":"FAF-Drugs2: free ADME\/tox filtering tool to assist drug discovery and chemical biology projects","volume":"9","author":"Lagorce","year":"2008","journal-title":"BMC Bioinform."},{"key":"10.1016\/j.bbrep.2016.08.020_bib16","doi-asserted-by":"crossref","first-page":"3099","DOI":"10.1021\/ci300367a","article-title":"admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties","volume":"52","author":"Cheng","year":"2012","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bbrep.2016.08.020_bib17","doi-asserted-by":"crossref","first-page":"11554","DOI":"10.1073\/pnas.96.20.11554","article-title":"Identification of Mycobacterium tuberculosis RNAs synthesized in response to phagocytosis by human macrophages by selective capture of transcribed sequences (SCOTS)","volume":"96","author":"Graham","year":"1999","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.bbrep.2016.08.020_bib18","doi-asserted-by":"crossref","first-page":"7161","DOI":"10.1128\/JB.181.23.7161-7167.1999","article-title":"Characterization of activity and expression of isocitrate lyase in Mycobacterium avium and Mycobacterium tuberculosis","volume":"181","author":"Honer zu Bentrup","year":"1999","journal-title":"J. Bacteriol."},{"key":"10.1016\/j.bbrep.2016.08.020_bib19","doi-asserted-by":"crossref","first-page":"683","DOI":"10.1038\/35021074","article-title":"Persistence of Mycobacterium tuberculosis in macrophages and mice requires the glyoxylate shunt enzyme isocitrate lyase","volume":"406","author":"McKinney","year":"2000","journal-title":"Nature"},{"key":"10.1016\/j.bbrep.2016.08.020_bib20","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1038\/35083594","article-title":"The glyoxylate cycle is required for fungal virulence","volume":"412","author":"Lorenz","year":"2001","journal-title":"Nature"},{"key":"10.1016\/j.bbrep.2016.08.020_bib21","doi-asserted-by":"crossref","first-page":"5324","DOI":"10.1128\/IAI.67.10.5324-5331.1999","article-title":"Expression of the soxR Gene of Pseudomonas aeruginosa is inducible during infection of burn wounds in mice and is required to cause efficient bacteremia","volume":"67","author":"Ha","year":"1999","journal-title":"Infect. Immun."},{"key":"10.1016\/j.bbrep.2016.08.020_bib22","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1016\/S1359-6446(97)01163-X","article-title":"Virtual screening - an overview","volume":"3","author":"Walters","year":"1998","journal-title":"Drug Discov. Today"},{"key":"10.1016\/j.bbrep.2016.08.020_bib23","doi-asserted-by":"crossref","first-page":"509","DOI":"10.2174\/1381612013397861","article-title":"Virtual screening: an effective tool for lead structure discovery","volume":"7","author":"Langer","year":"2001","journal-title":"Curr. Pharm. Des."},{"key":"10.1016\/j.bbrep.2016.08.020_bib24","doi-asserted-by":"crossref","first-page":"882","DOI":"10.1038\/nrd941","article-title":"Integration of virtual and high-throughput screening","volume":"1","author":"Bajorath","year":"2002","journal-title":"Nat. Rev. Drug Discov."},{"key":"10.1016\/j.bbrep.2016.08.020_bib25","doi-asserted-by":"crossref","first-page":"2644","DOI":"10.1002\/1521-3773(20020802)41:15<2644::AID-ANIE2644>3.0.CO;2-O","article-title":"Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors","volume":"41","author":"Gohlke","year":"2002","journal-title":"Angew. Chem. Int. Ed."},{"key":"10.1016\/j.bbrep.2016.08.020_bib26","doi-asserted-by":"crossref","first-page":"566","DOI":"10.1002\/prot.340230412","article-title":"Knowledge-based protein secondary structure assignment","volume":"23","author":"Frishman","year":"1995","journal-title":"Proteins"},{"key":"10.1016\/j.bbrep.2016.08.020_bib27","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1023\/A:1008130001697","article-title":"Property distribution of drug-related chemical databases","volume":"14","author":"Oprea","year":"2000","journal-title":"J. Comput. Aided Mol. Des."}],"container-title":["Biochemistry and Biophysics Reports"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2405580816301510?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2405580816301510?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,6,19]],"date-time":"2024-06-19T01:25:00Z","timestamp":1718760300000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2405580816301510"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2016,12]]},"references-count":27,"alternative-id":["S2405580816301510"],"URL":"https:\/\/doi.org\/10.1016\/j.bbrep.2016.08.020","relation":{},"ISSN":["2405-5808"],"issn-type":[{"value":"2405-5808","type":"print"}],"subject":[],"published":{"date-parts":[[2016,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Modeling, molecular docking, probing catalytic binding mode of acetyl-CoA malate synthase G in Brucella melitensis 16M","name":"articletitle","label":"Article Title"},{"value":"Biochemistry and Biophysics Reports","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bbrep.2016.08.020","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2016 The Authors. Published by Elsevier B.V.","name":"copyright","label":"Copyright"}]}}