{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,17]],"date-time":"2026-06-17T22:35:56Z","timestamp":1781735756444,"version":"3.54.5"},"reference-count":94,"publisher":"Public Library of Science (PLoS)","issue":"11","license":[{"start":{"date-parts":[[2010,11,4]],"date-time":"2010-11-04T00:00:00Z","timestamp":1288828800000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.ploscompbiol.org"],"crossmark-restriction":false},"short-container-title":["PLoS Comput Biol"],"DOI":"10.1371\/journal.pcbi.1000976","type":"journal-article","created":{"date-parts":[[2010,11,4]],"date-time":"2010-11-04T19:46:58Z","timestamp":1288900018000},"page":"e1000976","update-policy":"https:\/\/doi.org\/10.1371\/journal.pcbi.corrections_policy","source":"Crossref","is-referenced-by-count":88,"title":["The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications"],"prefix":"10.1371","volume":"6","author":[{"given":"Sarah L.","family":"Kinnings","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Li","family":"Xie","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kingston H.","family":"Fung","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Richard M.","family":"Jackson","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lei","family":"Xie","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Philip E.","family":"Bourne","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"340","published-online":{"date-parts":[[2010,11,4]]},"reference":[{"key":"ref1","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1038\/nbt0908-983","article-title":"Data completeness\u2014the Achilles heel of drug-target networks.","volume":"26","author":"J Mestres","year":"2008","journal-title":"Nat Biotechnol"},{"key":"ref2","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.1038\/nbt1338","article-title":"Drug-target network.","volume":"25","author":"MA Yildirim","year":"2007","journal-title":"Nat Biotechnol"},{"key":"ref3","doi-asserted-by":"crossref","first-page":"805","DOI":"10.1038\/nbt1228","article-title":"Global mapping of pharmacological space.","volume":"24","author":"GV Paolini","year":"2006","journal-title":"Nat Biotechnol"},{"key":"ref4","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1038\/nbt1284","article-title":"Relating protein pharmacology by ligand chemistry.","volume":"25","author":"MJ Keiser","year":"2007","journal-title":"Nat Biotechnol"},{"key":"ref5","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1038\/nature08506","article-title":"Predicting new molecular targets for known drugs.","volume":"462","author":"MJ Keiser","year":"2009","journal-title":"Nature"},{"key":"ref6","first-page":"304","article-title":"Computational chemogenomics approaches to systematic knowledge-based drug discovery.","volume":"7","author":"J Mestres","year":"2004","journal-title":"Curr Opin Drug Discov Devel"},{"key":"ref7","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1126\/science.1158140","article-title":"Drug target identification using side-effect similarity.","volume":"321","author":"M Campillos","year":"2008","journal-title":"Science"},{"key":"ref8","doi-asserted-by":"crossref","first-page":"54","DOI":"10.1038\/nrc2044","article-title":"The Connectivity Map: a new tool for biomedical research.","volume":"7","author":"J Lamb","year":"2007","journal-title":"Nat Rev Cancer"},{"key":"ref9","doi-asserted-by":"crossref","first-page":"1929","DOI":"10.1126\/science.1132939","article-title":"The Connectivity Map: using gene-expression signatures to connect small molecules, genes, and disease.","volume":"313","author":"J Lamb","year":"2006","journal-title":"Science"},{"key":"ref10","doi-asserted-by":"crossref","first-page":"i232","DOI":"10.1093\/bioinformatics\/btn162","article-title":"Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.","volume":"24","author":"Y Yamanishi","year":"2008","journal-title":"Bioinformatics"},{"key":"ref11","doi-asserted-by":"crossref","first-page":"e1000397","DOI":"10.1371\/journal.pcbi.1000397","article-title":"Integrating statistical predictions and experimental verifications for enhancing protein-chemical interaction predictions in virtual screening.","volume":"5","author":"N Nagamine","year":"2009","journal-title":"PLoS Comput Biol"},{"key":"ref12","doi-asserted-by":"crossref","first-page":"825","DOI":"10.1021\/mp800102c","article-title":"Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors.","volume":"6","author":"D Vina","year":"2009","journal-title":"Mol Pharm"},{"key":"ref13","doi-asserted-by":"crossref","first-page":"D901","DOI":"10.1093\/nar\/gkm958","article-title":"DrugBank: a knowledgebase for drugs, drug actions and drug targets.","volume":"36","author":"DS Wishart","year":"2008","journal-title":"Nucleic Acids Res"},{"key":"ref14","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The Protein Data Bank.","volume":"28","author":"HM Berman","year":"2000","journal-title":"Nucleic Acids Res"},{"key":"ref15","doi-asserted-by":"crossref","first-page":"e1000423","DOI":"10.1371\/journal.pcbi.1000423","article-title":"Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis.","volume":"5","author":"SL Kinnings","year":"2009","journal-title":"PLoS Comput Biol"},{"key":"ref16","doi-asserted-by":"crossref","first-page":"e1000387","DOI":"10.1371\/journal.pcbi.1000387","article-title":"Drug discovery using chemical systems biology: identification of the protein-ligand binding network to explain the side effects of CETP inhibitors.","volume":"5","author":"L Xie","year":"2009","journal-title":"PLoS Comput Biol"},{"key":"ref17","doi-asserted-by":"crossref","first-page":"e217","DOI":"10.1371\/journal.pcbi.0030217","article-title":"In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators.","volume":"3","author":"L Xie","year":"2007","journal-title":"PLoS Comput Biol"},{"key":"ref18","doi-asserted-by":"crossref","first-page":"e1000648","DOI":"10.1371\/journal.pcbi.1000648","article-title":"A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology.","volume":"6","author":"JD Durrant","year":"2010","journal-title":"PLoS Comput Biol"},{"key":"ref19","doi-asserted-by":"crossref","first-page":"121","DOI":"10.2174\/1568005023342551","article-title":"The TB structural genomics consortium: providing a structural foundation for drug discovery.","volume":"2","author":"CW Goulding","year":"2002","journal-title":"Curr Drug Targets Infect Disord"},{"key":"ref20","doi-asserted-by":"crossref","first-page":"8060","DOI":"10.1073\/pnas.0602606103","article-title":"Toward the structural genomics of complexes: crystal structure of a PE\/PPE protein complex from Mycobacterium tuberculosis.","volume":"103","author":"M Strong","year":"2006","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref21","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1016\/S1472-9792(03)00051-9","article-title":"The TB structural genomics consortium: a resource for Mycobacterium tuberculosis biology.","volume":"83","author":"TC Terwilliger","year":"2003","journal-title":"Tuberculosis (Edinb)"},{"key":"ref22","doi-asserted-by":"crossref","first-page":"i305","DOI":"10.1093\/bioinformatics\/btp220","article-title":"A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery.","volume":"25","author":"L Xie","year":"2009","journal-title":"Bioinformatics"},{"key":"ref23","doi-asserted-by":"crossref","first-page":"S9","DOI":"10.1186\/1471-2105-8-S4-S9","article-title":"A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites.","volume":"8","author":"L Xie","year":"2007","journal-title":"BMC Bioinformatics"},{"key":"ref24","doi-asserted-by":"crossref","first-page":"5441","DOI":"10.1073\/pnas.0704422105","article-title":"Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments.","volume":"105","author":"L Xie","year":"2008","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref25","doi-asserted-by":"crossref","first-page":"1737","DOI":"10.1073\/pnas.0811275106","article-title":"A class of selective antibacterials derived from a protein kinase inhibitor pharmacophore.","volume":"106","author":"JR Miller","year":"2009","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref26","doi-asserted-by":"crossref","first-page":"71","DOI":"10.1038\/nbt1273","article-title":"Structure-based maximal affinity model predicts small-molecule druggability.","volume":"25","author":"AC Cheng","year":"2007","journal-title":"Nat Biotechnol"},{"key":"ref27","doi-asserted-by":"crossref","first-page":"R89","DOI":"10.1186\/gb-2007-8-5-r89","article-title":"GSMN-TB: a web-based genome-scale network model of Mycobacterium tuberculosis metabolism.","volume":"8","author":"DJ Beste","year":"2007","journal-title":"Genome Biol"},{"key":"ref28","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1186\/1752-0509-1-26","article-title":"Investigating the metabolic capabilities of Mycobacterium tuberculosis H37Rv using the in silico strain iNJ661 and proposing alternative drug targets.","volume":"1","author":"N Jamshidi","year":"2007","journal-title":"BMC Syst Biol"},{"key":"ref29","doi-asserted-by":"crossref","first-page":"873","DOI":"10.1107\/S1744309106027977","article-title":"Crystallization and preliminary X-ray crystallographic studies of Mycobacterium tuberculosis CRP\/FNR family transcription regulator.","volume":"62","author":"M Akif","year":"2006","journal-title":"Acta Crystallogr Sect F Struct Biol Cryst Commun"},{"key":"ref30","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1126\/science.8284673","article-title":"inhA, a gene encoding a target for isoniazid and ethionamide in Mycobacterium tuberculosis.","volume":"263","author":"A Banerjee","year":"1994","journal-title":"Science"},{"key":"ref31","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1021\/ar700156e","article-title":"Inhibitors of FabI, an enzyme drug target in the bacterial fatty acid biosynthesis pathway.","volume":"41","author":"H Lu","year":"2008","journal-title":"Acc Chem Res"},{"key":"ref32","doi-asserted-by":"crossref","first-page":"15271","DOI":"10.1074\/jbc.M200235200","article-title":"Adenylyl cyclase Rv1264 from Mycobacterium tuberculosis has an autoinhibitory N-terminal domain.","volume":"277","author":"JU Linder","year":"2002","journal-title":"J Biol Chem"},{"key":"ref33","doi-asserted-by":"crossref","first-page":"426","DOI":"10.1016\/j.tips.2006.06.002","article-title":"Higher-order organization and regulation of adenylyl cyclases.","volume":"27","author":"DM Cooper","year":"2006","journal-title":"Trends Pharmacol Sci"},{"key":"ref34","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1046\/j.1365-2958.2002.02779.x","article-title":"Evaluation of a nutrient starvation model of Mycobacterium tuberculosis persistence by gene and protein expression profiling.","volume":"43","author":"JC Betts","year":"2002","journal-title":"Mol Microbiol"},{"key":"ref35","doi-asserted-by":"crossref","first-page":"1096","DOI":"10.1107\/S1744309108035203","article-title":"1.9 A structure of the signal receiver domain of the putative response regulator NarL from Mycobacterium tuberculosis.","volume":"64","author":"R Schnell","year":"2008","journal-title":"Acta Crystallogr Sect F Struct Biol Cryst Commun"},{"key":"ref36","doi-asserted-by":"crossref","first-page":"1134","DOI":"10.1128\/IAI.71.3.1134-1140.2003","article-title":"Deletion of two-component regulatory systems increases the virulence of Mycobacterium tuberculosis.","volume":"71","author":"T Parish","year":"2003","journal-title":"Infect Immun"},{"key":"ref37","doi-asserted-by":"crossref","first-page":"2660","DOI":"10.4049\/jimmunol.173.4.2660","article-title":"Mycobacterium tuberculosis LprG (Rv1411c): a novel TLR-2 ligand that inhibits human macrophage class II MHC antigen processing.","volume":"173","author":"AJ Gehring","year":"2004","journal-title":"J Immunol"},{"key":"ref38","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1016\/j.chom.2009.01.008","article-title":"Aligning antimicrobial drug discovery with complex and redundant host-pathogen interactions.","volume":"5","author":"SL Lebeis","year":"2009","journal-title":"Cell Host Microbe"},{"key":"ref39","doi-asserted-by":"crossref","first-page":"1078","DOI":"10.1126\/science.1160354","article-title":"Targeting QseC signaling and virulence for antibiotic development.","volume":"321","author":"DA Rasko","year":"2008","journal-title":"Science"},{"key":"ref40","doi-asserted-by":"crossref","first-page":"14570","DOI":"10.1073\/pnas.0903619106","article-title":"Targeting a bacterial stress response to enhance antibiotic action.","volume":"106","author":"S Lee","year":"2009","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref41","doi-asserted-by":"crossref","first-page":"910","DOI":"10.1016\/j.bcp.2005.12.008","article-title":"Practical applications and feasibility of efflux pump inhibitors in the clinic\u2014a vision for applied use.","volume":"71","author":"O Lomovskaya","year":"2006","journal-title":"Biochem Pharmacol"},{"key":"ref42","doi-asserted-by":"crossref","first-page":"1110","DOI":"10.1038\/nbt1007-1110","article-title":"Network pharmacology.","volume":"25","author":"AL Hopkins","year":"2007","journal-title":"Nat Biotechnol"},{"key":"ref43","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1038\/nchembio.118","article-title":"Network pharmacology: the next paradigm in drug discovery.","volume":"4","author":"AL Hopkins","year":"2008","journal-title":"Nat Chem Biol"},{"key":"ref44","doi-asserted-by":"crossref","first-page":"460","DOI":"10.1038\/nrmicro2133","article-title":"Drug interactions and the evolution of antibiotic resistance.","volume":"7","author":"PJ Yeh","year":"2009","journal-title":"Nat Rev Microbiol"},{"key":"ref45","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1016\/j.jmb.2005.07.075","article-title":"Structural basis of the drug-binding specificity of human serum albumin.","volume":"353","author":"J Ghuman","year":"2005","journal-title":"J Mol Biol"},{"key":"ref46","doi-asserted-by":"crossref","first-page":"4886","DOI":"10.1073\/pnas.0711939105","article-title":"Rifamycin antibiotic resistance by ADP-ribosylation: Structure and diversity of Arr.","volume":"105","author":"J Baysarowich","year":"2008","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref47","doi-asserted-by":"crossref","first-page":"900","DOI":"10.1038\/nrd2684","article-title":"Genomic-scale prioritization of drug targets: the TDR Targets database.","volume":"7","author":"F Aguero","year":"2008","journal-title":"Nat Rev Drug Discov"},{"key":"ref48","doi-asserted-by":"crossref","first-page":"423","DOI":"10.2174\/138945007780059004","article-title":"Mycobacterial shikimate pathway enzymes as targets for drug design.","volume":"8","author":"RG Ducati","year":"2007","journal-title":"Curr Drug Targets"},{"key":"ref49","doi-asserted-by":"crossref","first-page":"1436","DOI":"10.1038\/sj.emboj.7601048","article-title":"LppX is a lipoprotein required for the translocation of phthiocerol dimycocerosates to the surface of Mycobacterium tuberculosis.","volume":"25","author":"G Sulzenbacher","year":"2006","journal-title":"EMBO J"},{"key":"ref50","doi-asserted-by":"crossref","first-page":"4711","DOI":"10.1074\/jbc.M606283200","article-title":"Structural and biophysical studies on two promoter recognition domains of the extra-cytoplasmic function sigma factor sigma(C) from Mycobacterium tuberculosis.","volume":"282","author":"KG Thakur","year":"2007","journal-title":"J Biol Chem"},{"key":"ref51","doi-asserted-by":"crossref","first-page":"e1000460","DOI":"10.1371\/journal.ppat.1000460","article-title":"Mycobacterium tuberculosis universal stress protein Rv2623 regulates bacillary growth by ATP-Binding: requirement for establishing chronic persistent infection.","volume":"5","author":"JE Drumm","year":"2009","journal-title":"PLoS Pathog"},{"key":"ref52","doi-asserted-by":"crossref","first-page":"1800","DOI":"10.1126\/science.1099384","article-title":"Protein kinase G from pathogenic mycobacteria promotes survival within macrophages.","volume":"304","author":"A Walburger","year":"2004","journal-title":"Science"},{"key":"ref53","doi-asserted-by":"crossref","first-page":"3515","DOI":"10.1128\/AAC.00012-09","article-title":"Protein kinase G is required for intrinsic antibiotic resistance in mycobacteria.","volume":"53","author":"KA Wolff","year":"2009","journal-title":"Antimicrob Agents Chemother"},{"key":"ref54","article-title":"Tuberculosis Fact Sheet","volume":"No.104","year":"2006"},{"key":"ref55","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1038\/nature09107","article-title":"Thousands of chemical starting points for antimalarial lead identification.","volume":"465","author":"FJ Gamo","year":"2010","journal-title":"Nature"},{"key":"ref56","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1038\/nature09099","article-title":"Chemical genetics of Plasmodium falciparum.","volume":"465","author":"WA Guiguemde","year":"2010","journal-title":"Nature"},{"key":"ref57","doi-asserted-by":"crossref","first-page":"669","DOI":"10.2174\/138620708785739952","article-title":"A ligand-based approach to mining the chemogenomic space of drugs.","volume":"11","author":"E Gregori-Puigjane","year":"2008","journal-title":"Comb Chem High Throughput Screen"},{"key":"ref58","doi-asserted-by":"crossref","first-page":"1051","DOI":"10.1039\/b905821b","article-title":"The topology of drug-target interaction networks: implicit dependence on drug properties and target families.","volume":"5","author":"J Mestres","year":"2009","journal-title":"Mol Biosyst"},{"key":"ref59","doi-asserted-by":"crossref","first-page":"637","DOI":"10.1038\/nature04670","article-title":"Global landscape of protein complexes in the yeast Saccharomyces cerevisiae.","volume":"440","author":"NJ Krogan","year":"2006","journal-title":"Nature"},{"key":"ref60","doi-asserted-by":"crossref","first-page":"651","DOI":"10.1038\/35036627","article-title":"The large-scale organization of metabolic networks.","volume":"407","author":"H Jeong","year":"2000","journal-title":"Nature"},{"key":"ref61","doi-asserted-by":"crossref","first-page":"1803","DOI":"10.1098\/rspb.2001.1711","article-title":"The small world inside large metabolic networks.","volume":"268","author":"A Wagner","year":"2001","journal-title":"Proc Biol Sci"},{"key":"ref62","doi-asserted-by":"crossref","first-page":"R176","DOI":"10.1186\/gb-2007-8-8-r176","article-title":"Distribution patterns of small-molecule ligands in the protein universe and implications for origin of life and drug discovery.","volume":"8","author":"HF Ji","year":"2007","journal-title":"Genome Biol"},{"key":"ref63","doi-asserted-by":"crossref","first-page":"567","DOI":"10.1209\/epl\/i2003-00166-9","article-title":"Measuring preferential attachment in evolving networks.","volume":"61","author":"H Jeong","year":"2003","journal-title":"Europhys Lett"},{"key":"ref64","doi-asserted-by":"crossref","first-page":"025102","DOI":"10.1103\/PhysRevE.64.025102","article-title":"Clustering and preferential attachment in growing networks.","volume":"64","author":"ME Newman","year":"2001","journal-title":"Phys Rev E Stat Nonlin Soft Matter Phys"},{"key":"ref65","doi-asserted-by":"crossref","first-page":"138701","DOI":"10.1103\/PhysRevLett.91.138701","article-title":"Preferential attachment in the protein network evolution.","volume":"91","author":"E Eisenberg","year":"2003","journal-title":"Phys Rev Lett"},{"key":"ref66","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1016\/j.sbi.2009.03.011","article-title":"Nothing about protein structure classification makes sense except in the light of evolution.","volume":"19","author":"RE Valas","year":"2009","journal-title":"Curr Opin Struct Biol"},{"key":"ref67","doi-asserted-by":"crossref","first-page":"3809","DOI":"10.1093\/nar\/gkq090","article-title":"Modular architecture of nucleotide-binding pockets.","volume":"38","author":"PF Gherardini","year":"2010","journal-title":"Nucleic Acids Res"},{"key":"ref68","doi-asserted-by":"crossref","first-page":"e1000405","DOI":"10.1371\/journal.pcbi.1000405","article-title":"FINDSITE: a threading-based approach to ligand homology modeling.","volume":"5","author":"M Brylinski","year":"2009","journal-title":"PLoS Comput Biol"},{"key":"ref69","doi-asserted-by":"crossref","first-page":"928","DOI":"10.1016\/j.jmb.2005.12.012","article-title":"Conformational diversity of ligands bound to proteins.","volume":"356","author":"GR Stockwell","year":"2006","journal-title":"J Mol Biol"},{"key":"ref70","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1016\/S0968-0004(02)02158-8","article-title":"Plasticity of enzyme active sites.","volume":"27","author":"AE Todd","year":"2002","journal-title":"Trends Biochem Sci"},{"key":"ref71","doi-asserted-by":"crossref","first-page":"711","DOI":"10.1038\/nrd1470","article-title":"Can the pharmaceutical industry reduce attrition rates?","volume":"3","author":"I Kola","year":"2004","journal-title":"Nat Rev Drug Discov"},{"key":"ref72","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1038\/nrd3078","article-title":"How to improve R&amp;D productivity: the pharmaceutical industry&apos;s grand challenge.","volume":"9","author":"SM Paul","year":"2010","journal-title":"Nat Rev Drug Discov"},{"key":"ref73","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1038\/nbt1519","article-title":"Protein promiscuity and its implications for biotechnology.","volume":"27","author":"I Nobeli","year":"2009","journal-title":"Nat Biotechnol"},{"key":"ref74","doi-asserted-by":"crossref","first-page":"645","DOI":"10.1038\/448645a","article-title":"New uses for old drugs.","volume":"448","author":"CR Chong","year":"2007","journal-title":"Nature"},{"key":"ref75","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1016\/S0167-6296(02)00126-1","article-title":"The price of innovation: new estimates of drug development costs.","volume":"22","author":"JA DiMasi","year":"2003","journal-title":"J Health Econ"},{"key":"ref76","doi-asserted-by":"crossref","first-page":"20851","DOI":"10.1074\/jbc.M211968200","article-title":"Targeting tuberculosis and malaria through inhibition of Enoyl reductase: compound activity and structural data.","volume":"278","author":"MR Kuo","year":"2003","journal-title":"J Biol Chem"},{"key":"ref77","doi-asserted-by":"crossref","first-page":"202","DOI":"10.1038\/nrd2195","article-title":"A robustness-based approach to systems-oriented drug design.","volume":"6","author":"H Kitano","year":"2007","journal-title":"Nat Rev Drug Discov"},{"key":"ref78","doi-asserted-by":"crossref","first-page":"D347","DOI":"10.1093\/nar\/gkn791","article-title":"MODBASE, a database of annotated comparative protein structure models and associated resources.","volume":"37","author":"U Pieper","year":"2009","journal-title":"Nucleic Acids Res"},{"key":"ref79","doi-asserted-by":"crossref","first-page":"D668","DOI":"10.1093\/nar\/gkj067","article-title":"DrugBank: a comprehensive resource for in silico drug discovery and exploration.","volume":"34","author":"DS Wishart","year":"2006","journal-title":"Nucleic Acids Res"},{"key":"ref80","first-page":"424","article-title":"A new algorithm for the maximum-weight clique problem.","volume":"8","author":"PRJ Ostergard","year":"2001","journal-title":"Nordic J Computing"},{"key":"ref81","first-page":"195","article-title":"A fast algorithm for the maximum clique problem.","volume":"120","author":"PRJ Ostergard","year":"2002","journal-title":"Discrete Appl Math"},{"key":"ref82","doi-asserted-by":"crossref","first-page":"ii246","DOI":"10.1093\/bioinformatics\/btg1086","article-title":"Flexible structure alignment by chaining aligned fragment pairs allowing twists.","volume":"19","author":"Y Ye","year":"2003","journal-title":"Bioinformatics"},{"key":"ref83","doi-asserted-by":"crossref","first-page":"727","DOI":"10.1038\/nprot.2007.99","article-title":"Quantitative prediction of cellular metabolism with constraint-based models: the COBRA Toolbox.","volume":"2","author":"SA Becker","year":"2007","journal-title":"Nat Protoc"},{"key":"ref84","doi-asserted-by":"crossref","first-page":"198","DOI":"10.1016\/j.jmgm.2006.06.002","article-title":"eHiTS: a new fast, exhaustive flexible ligand docking system.","volume":"26","author":"Z Zsoldos","year":"2007","journal-title":"J Mol Graph Model"},{"key":"ref85","doi-asserted-by":"crossref","first-page":"500","DOI":"10.1038\/ng0506-500","article-title":"GenePattern 2.0.","volume":"38","author":"M Reich","year":"2006","journal-title":"Nat Genet"},{"key":"ref86","doi-asserted-by":"crossref","first-page":"1274","DOI":"10.1111\/j.1365-2958.2005.04609.x","article-title":"A member of the cAMP receptor protein family of transcription regulators in Mycobacterium tuberculosis is required for virulence in mice and controls transcription of the rpfA gene coding for a resuscitation promoting factor.","volume":"56","author":"L Rickman","year":"2005","journal-title":"Mol Microbiol"},{"key":"ref87","doi-asserted-by":"crossref","first-page":"6308","DOI":"10.1021\/jm060715y","article-title":"Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis.","volume":"49","author":"X He","year":"2006","journal-title":"J Med Chem"},{"key":"ref88","doi-asserted-by":"crossref","first-page":"563","DOI":"10.1016\/j.ijmm.2006.07.001","article-title":"Characterization of a Mycobacterium tuberculosis mutant deficient in pH-sensing adenylate cyclase Rv1264.","volume":"296","author":"D Dittrich","year":"2006","journal-title":"Int J Med Microbiol"},{"key":"ref89","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1046\/j.1365-2958.2003.03425.x","article-title":"Genes required for mycobacterial growth defined by high density mutagenesis.","volume":"48","author":"CM Sassetti","year":"2003","journal-title":"Mol Microbiol"},{"key":"ref90","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/S0014-5793(99)00536-0","article-title":"Learning from the genome sequence of Mycobacterium tuberculosis H37Rv.","volume":"452","author":"ST Cole","year":"1999","journal-title":"FEBS Lett"},{"key":"ref91","doi-asserted-by":"crossref","first-page":"8327","DOI":"10.1073\/pnas.0503272102","article-title":"Genome-wide requirements for Mycobacterium tuberculosis adaptation and survival in macrophages.","volume":"102","author":"J Rengarajan","year":"2005","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref92","doi-asserted-by":"crossref","first-page":"12989","DOI":"10.1073\/pnas.2134250100","article-title":"Genetic requirements for mycobacterial survival during infection.","volume":"100","author":"CM Sassetti","year":"2003","journal-title":"Proc Natl Acad Sci U S A"},{"key":"ref93","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1111\/j.1574-6976.2000.tb00550.x","article-title":"The ATP binding cassette (ABC) transport systems of Mycobacterium tuberculosis.","volume":"24","author":"M Braibant","year":"2000","journal-title":"FEMS Microbiol Rev"},{"key":"ref94","doi-asserted-by":"crossref","first-page":"241","DOI":"10.1016\/j.pep.2005.08.007","article-title":"Purification and characterization of a functionally active Mycobacterium tuberculosis pyrroline-5-carboxylate reductase.","volume":"45","author":"Y Yang","year":"2006","journal-title":"Protein Expr Purif"}],"container-title":["PLoS Computational Biology"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/dx.plos.org\/10.1371\/journal.pcbi.1000976","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,6,4]],"date-time":"2023-06-04T03:40:08Z","timestamp":1685850008000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pcbi.1000976"}},"subtitle":[],"editor":[{"given":"Ruth","family":"Nussinov","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"editor"}]}],"short-title":[],"issued":{"date-parts":[[2010,11,4]]},"references-count":94,"journal-issue":{"issue":"11","published-online":{"date-parts":[[2010,11,4]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pcbi.1000976","relation":{},"ISSN":["1553-7358"],"issn-type":[{"value":"1553-7358","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,11,4]]}}}