{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,1,9]],"date-time":"2026-01-09T13:01:50Z","timestamp":1767963710532,"version":"3.49.0"},"reference-count":32,"publisher":"American Chemical Society (ACS)","issue":"6","funder":[{"DOI":"10.13039\/501100001412","name":"Council of Scientific and Industrial Research","doi-asserted-by":"publisher","award":["BSC0121"],"award-info":[{"award-number":["BSC0121"]}],"id":[{"id":"10.13039\/501100001412","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2015,6,22]]},"DOI":"10.1021\/acs.jcim.5b00150","type":"journal-article","created":{"date-parts":[[2015,5,12]],"date-time":"2015-05-12T20:52:05Z","timestamp":1431463925000},"page":"1120-1129","source":"Crossref","is-referenced-by-count":51,"title":["Identification of Novel Inhibitors of <i>Mycobacterium tuberculosis<\/i> PknG Using Pharmacophore Based Virtual Screening, Docking, Molecular Dynamics Simulation, and Their Biological Evaluation"],"prefix":"10.1021","volume":"55","author":[{"given":"Nidhi","family":"Singh","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Sameer","family":"Tiwari","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kishore K.","family":"Srivastava","sequence":"additional","affiliation":[{"name":"Academy of Scientific and Innovative Research, New Delhi 110025, India"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Mohammad Imran","family":"Siddiqi","sequence":"additional","affiliation":[{"name":"Academy of Scientific and Innovative Research, New Delhi 110025, India"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2015,5,21]]},"reference":[{"issue":"3","key":"ref1\/cit1","first-page":"215","volume":"14","author":"Azizi M. H.","year":"2011","journal-title":"Arch Iran Med."},{"issue":"10","key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1277","DOI":"10.1016\/S0761-8425(07)78506-6","volume":"24","author":"Ziskind B.","year":"2007","journal-title":"Rev. Mal Respir."},{"key":"ref3\/cit3","unstructured":"http:\/\/www.who.int\/mediacentre\/factsheets\/fs104\/en\/index.html(accessed Feb 15, 2013) ."},{"issue":"2","key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1111\/j.1574-695X.2008.00400.x","volume":"53","author":"Jain A.","year":"2008","journal-title":"FEMS Immunol Med. Microbiol."},{"issue":"5","key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"1202","DOI":"10.1183\/09031936.00081909","volume":"34","author":"Velayati A. A.","year":"2009","journal-title":"Eur. Respir. J."},{"issue":"5","key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/j.tcb.2005.03.009","volume":"15","author":"Nguyen L.","year":"2005","journal-title":"Trends Cell Biol."},{"issue":"5678","key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1800","DOI":"10.1126\/science.1099384","volume":"304","author":"Walburger A.","year":"2004","journal-title":"Science"},{"issue":"16","key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"5852","DOI":"10.1128\/JB.187.16.5852-5856.2005","volume":"187","author":"Nguyen L.","year":"2005","journal-title":"J. Bacteriol."},{"issue":"6823","key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1038\/35059006","volume":"409","author":"Cole S. T.","year":"2001","journal-title":"Nature"},{"issue":"5","key":"ref10\/cit10","first-page":"238","volume":"8","author":"Av-Gay Y.","year":"2000","journal-title":"TrendsMicrobiol."},{"issue":"8","key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"3515","DOI":"10.1128\/AAC.00012-09","volume":"53","author":"Wolff K. A.","year":"2009","journal-title":"Antimicrob. Agents Chemother."},{"issue":"8","key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"2131","DOI":"10.1021\/ci400203f","volume":"53","author":"Chan F. Y.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"issue":"9","key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2390","DOI":"10.1021\/ci400202t","volume":"53","author":"Pauli I.","year":"2013","journal-title":"J. Chem. Inf Model."},{"issue":"17","key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"S5","DOI":"10.1186\/1471-2105-13-S17-S5","volume":"13","author":"Elhefnawi M.","year":"2012","journal-title":"BMC Bioinformatics"},{"issue":"4","key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1016\/j.jmgm.2008.08.005","volume":"27","author":"Kumar A.","year":"2008","journal-title":"J. Mol. Graph Model."},{"issue":"1","key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1021\/ci8003607","volume":"49","author":"Kumar A.","year":"2009","journal-title":"J. Chem. Inf Model."},{"issue":"12","key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1247","DOI":"10.1007\/s10822-014-9800-9","volume":"28","author":"Kumar V.","year":"2014","journal-title":"J. Comput. Aided Mol. Des."},{"issue":"6","key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2899","DOI":"10.1021\/jm2015167","volume":"55","author":"Hou Z.","year":"2012","journal-title":"J. Med. Chem."},{"issue":"7","key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"3308","DOI":"10.1007\/s00044-014-0910-7","volume":"23","author":"Shah P.","year":"2014","journal-title":"Medicinal Chemistry Research"},{"issue":"29","key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"12151","DOI":"10.1073\/pnas.0702842104","volume":"104","author":"Scherr N.","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"issue":"17","key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"5150","DOI":"10.1016\/j.bmc.2012.07.009","volume":"20","author":"Anand N.","year":"2012","journal-title":"Bioorg. Med. Chem."},{"key":"ref22\/cit22","unstructured":"SYBYL-X, version 2.0; Tripos, Certara, 1991\u20132012."},{"issue":"6","key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"532","DOI":"10.1007\/BF00124324","volume":"9","author":"Jones G.","year":"1995","journal-title":"J. Comput. Aided Mol. Des."},{"key":"ref24\/cit24","first-page":"223","volume":"1","author":"Olah M.","year":"2004","journal-title":"Chemoinf. Drug Discovery"},{"key":"ref25\/cit25","unstructured":"http:\/\/www.maybridge.com\/(march 7, 2013) ."},{"issue":"4","key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"499","DOI":"10.1021\/jm020406h","volume":"46","author":"Jain A. N.","year":"2003","journal-title":"J. Med. Chem."},{"issue":"3","key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"470","DOI":"10.1006\/jmbi.1996.0477","volume":"261","author":"Rarey M.","year":"1996","journal-title":"J. Mol. Biol."},{"issue":"16","key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2785","DOI":"10.1002\/jcc.21256","volume":"30","author":"Morris G. M.","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"3526","DOI":"10.1128\/JCM.02083-07","volume":"46","author":"Leonard B.","year":"2008","journal-title":"Journal of clinical microbiology"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"5421","DOI":"10.1046\/j.1432-1327.2000.01606.x","volume":"267","author":"O\u2019Brien J.","year":"2000","journal-title":"European journal of biochemistry\/FEBS"},{"issue":"3","key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1021\/ct700301q","volume":"4","author":"Hess B.","year":"2008","journal-title":"J. Chem. Theory Comput"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1101\/pdb.prot5421"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.5b00150","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,22]],"date-time":"2023-04-22T23:25:35Z","timestamp":1682205935000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.5b00150"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,5,21]]},"references-count":32,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2015,6,22]]}},"alternative-id":["10.1021\/acs.jcim.5b00150"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.5b00150","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,5,21]]}}}