{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,9]],"date-time":"2025-11-09T07:33:44Z","timestamp":1762673624524},"reference-count":40,"publisher":"American Chemical Society (ACS)","issue":"3","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2007,5,1]]},"DOI":"10.1021\/ci6004806","type":"journal-article","created":{"date-parts":[[2007,4,19]],"date-time":"2007-04-19T12:07:07Z","timestamp":1176984427000},"page":"1215-1224","source":"Crossref","is-referenced-by-count":8,"title":["<i>Escherichia<\/i> <i>coli<\/i> versus <i>Pseudomonas aeruginosa<\/i> Deacetylase LpxC Inhibitors Selectivity:\u2009 Surface and Cavity-Depth-Based Analysis"],"prefix":"10.1021","volume":"47","author":[{"given":"Rameshwar U.","family":"Kadam","sequence":"first","affiliation":[{"name":"Centre of Pharmacoinformatics and Department of Biotechnology, National Institute of Pharmaceutical Education and Research, Sector 67, S. A. S. Nagar, Punjab 160062, India"}]},{"given":"Amol V.","family":"Shivange","sequence":"additional","affiliation":[{"name":"Centre of Pharmacoinformatics and Department of Biotechnology, National Institute of Pharmaceutical Education and Research, Sector 67, S. A. S. Nagar, Punjab 160062, India"}]},{"given":"Nilanjan","family":"Roy","sequence":"additional","affiliation":[{"name":"Centre of Pharmacoinformatics and Department of Biotechnology, National Institute of Pharmaceutical Education and Research, Sector 67, S. A. S. Nagar, Punjab 160062, India"}]}],"member":"316","published-online":{"date-parts":[[2007,4,19]]},"reference":[{"key":"ci6004806b00001\/ci6004806b00001_1","first-page":"411","volume":"56","author":"Vaara M","year":"1992","journal-title":"Microbiol. Mol. Biol. Rev."},{"key":"ci6004806b00002\/ci6004806b00002_1","doi-asserted-by":"crossref","first-page":"829","DOI":"10.1128\/AAC.36.4.826","volume":"36","author":"Vuorio R.","year":"1992","journal-title":"Antimicrob. Agents Chemother."},{"key":"ci6004806b00003\/ci6004806b00003_1","first-page":"356","volume":"37","author":"Vaara M","year":"1993","journal-title":"Antimicrob. Agents Chemother."},{"key":"ci6004806b00004\/ci6004806b00004_1","doi-asserted-by":"crossref","first-page":"32","DOI":"10.1128\/mr.49.1.1-32.1985","volume":"49","author":"Nikaido H.","year":"1985","journal-title":"Microbiol. Rev."},{"key":"ci6004806b00005\/ci6004806b00005_1","first-page":"170","volume":"59","author":"Raetz C. R. H","year":"1990","journal-title":"Annu. Rev. Biochem."},{"key":"ci6004806b00006\/ci6004806b00006_1","first-page":"5753","volume":"175","author":"Raetz C. R. H.","year":"1993","journal-title":"J. Bacteriol."},{"key":"ci6004806b00007\/ci6004806b00007_1","doi-asserted-by":"crossref","first-page":"982","DOI":"10.1126\/science.274.5289.980","volume":"274","author":"Onishi H. R.","year":"1996","journal-title":"Science"},{"key":"ci6004806b00008\/ci6004806b00008_1","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/S0966-842X(98)01230-X","volume":"6","author":"Wyckoff T. J.","year":"1998","journal-title":"Trends Microbiol."},{"key":"ci6004806b00009\/ci6004806b00009_1","first-page":"32","volume-title":"Endotoxin in Health and Disease","author":"Vaara M.","year":"1999","edition":"1"},{"key":"ci6004806b00010\/ci6004806b00010_1","first-page":"304","volume-title":"Endotoxin in Health and Disease","author":"Rick P. D.","year":"1999","edition":"1"},{"key":"ci6004806b00011\/ci6004806b00011_1","first-page":"15541","volume":"260","author":"Anderson M. S.","year":"1985","journal-title":"J. Biol. Chem."},{"key":"ci6004806b00012\/ci6004806b00012_1","first-page":"1917","volume":"27","author":"Anderson M. S.","year":"1988","journal-title":"Biochemistry"},{"key":"ci6004806b00013\/ci6004806b00013_1","first-page":"19865","volume":"268","author":"Anderson M. S.","year":"1993","journal-title":"J. Biol. Chem."},{"key":"ci6004806b00014\/ci6004806b00014_1","first-page":"30391","volume":"270","author":"Young K.","year":"1995","journal-title":"J. Biol. Chem."},{"key":"ci6004806b00015\/ci6004806b00015_1","doi-asserted-by":"crossref","first-page":"5415","DOI":"10.1128\/jb.169.12.5408-5415.1987","volume":"169","author":"Beall B.","year":"1987","journal-title":"J. Bacteriol."},{"key":"ci6004806b00016\/ci6004806b00016_1","doi-asserted-by":"crossref","first-page":"11009","DOI":"10.1074\/jbc.275.15.11002","volume":"275","author":"Jackman J. E.","year":"2000","journal-title":"J. Biol. Chem."},{"key":"ci6004806b00017\/ci6004806b00017_1","doi-asserted-by":"crossref","first-page":"14344","DOI":"10.1073\/pnas.2036282100","volume":"100","author":"Jacobs M. A.","year":"2003","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci6004806b00018\/ci6004806b00018_1","doi-asserted-by":"crossref","first-page":"2037","DOI":"10.1128\/jb.179.6.2029-2037.1997","volume":"179","author":"Hyland S. A.","year":"1997","journal-title":"J. Bacteriol."},{"key":"ci6004806b00019\/ci6004806b00019_1","doi-asserted-by":"crossref","first-page":"1799","DOI":"10.1128\/AAC.46.6.1793-1799.2002","volume":"46","author":"Clements J. M.","year":"2002","journal-title":"Antimicrob. Agents Chemother."},{"key":"ci6004806b00020\/ci6004806b00020_1","doi-asserted-by":"crossref","first-page":"1586","DOI":"10.1021\/ja0209114","volume":"125","author":"Pirrung M. C.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ci6004806b00021\/ci6004806b00021_1","doi-asserted-by":"crossref","first-page":"4370","DOI":"10.1021\/jm020183v","volume":"45","author":"Pirrung M. C.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ci6004806b00022\/ci6004806b00022_1","doi-asserted-by":"crossref","first-page":"2184","DOI":"10.1128\/AAC.00140-06","volume":"50","author":"Mdluli K. E.","year":"2006","journal-title":"Antimicrob. Agents Chemother."},{"key":"ci6004806b00023\/ci6004806b00023_1","doi-asserted-by":"crossref","first-page":"3129","DOI":"10.1021\/jm010579r","volume":"45","author":"Kline T.","year":"2002","journal-title":"J. Med. Chem."},{"key":"ci6004806b00024\/ci6004806b00024_1","volume-title":"version 06","author":"MOE"},{"key":"ci6004806b00025\/ci6004806b00025_1","volume-title":"version 7.1","author":"SYBYL"},{"key":"ci6004806b00026\/ci6004806b00026_1","doi-asserted-by":"crossref","first-page":"410","DOI":"10.1016\/S0022-2836(05)80360-2","volume":"215","author":"Altschul S. F.","year":"1990","journal-title":"J. Mol. Biol."},{"key":"ci6004806b00027\/ci6004806b00027_1","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman H. M.","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"ci6004806b00028\/ci6004806b00028_1","doi-asserted-by":"crossref","first-page":"8150","DOI":"10.1073\/pnas.1432990100","volume":"100","author":"Whittington D. A.","year":"2003","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ci6004806b00029\/ci6004806b00029_1","doi-asserted-by":"crossref","first-page":"1126","DOI":"10.1021\/bi047820z","volume":"44","author":"Coggins B. E.","year":"2005","journal-title":"Biochemistry"},{"key":"ci6004806b00030\/ci6004806b00030_1","doi-asserted-by":"crossref","first-page":"1034","DOI":"10.1016\/S1097-2765(00)80267-1","volume":"5","author":"Hickman A. B.","year":"2000","journal-title":"Mol. Cell."},{"key":"ci6004806b00031\/ci6004806b00031_1","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1038\/356083a0","volume":"356","author":"Luthy R.","year":"1992","journal-title":"Nature"},{"key":"ci6004806b00032\/ci6004806b00032_1","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1107\/S0021889892009944","volume":"26","author":"Laskowski R.","year":"1993","journal-title":"J. Appl. Crystallogr."},{"key":"ci6004806b00033\/ci6004806b00033_1","first-page":"3909","volume":"107","author":"Dewar J. S.","year":"1985","journal-title":"J. Am. Chem. Soc."},{"key":"ci6004806b00034\/ci6004806b00034_1","doi-asserted-by":"crossref","first-page":"1846","DOI":"10.1063\/1.1740590","volume":"23","author":"Mulliken R. S","year":"1955","journal-title":"J. Chem. Phys."},{"key":"ci6004806b00035\/ci6004806b00035_1","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1016\/S0162-0134(02)00611-6","volume":"94","author":"McClure C. P.","year":"2003","journal-title":"J. Inorg. Biochem."},{"key":"ci6004806b00036\/ci6004806b00036_1","first-page":"523","volume":"2","author":"Jackman J. E.","year":"2001","journal-title":"Biochemistry"},{"key":"ci6004806b00037\/ci6004806b00037_1","doi-asserted-by":"crossref","first-page":"16978","DOI":"10.1074\/jbc.M413560200","volume":"280","author":"Hernick M.","year":"2005","journal-title":"J. Biol. Chem."},{"key":"ci6004806b00038\/ci6004806b00038_1","doi-asserted-by":"crossref","first-page":"453","DOI":"10.1016\/0022-2836(70)90057-4","volume":"48","author":"Needleman S. B.","year":"1970","journal-title":"J. Mol. Biol."},{"key":"ci6004806b00039\/ci6004806b00039_1","first-page":"1933","volume":"6","author":"Bhattacharrjee A. K.","year":"1998","journal-title":"Bioorg. Med. Chem."},{"key":"ci6004806b00040\/ci6004806b00040_1","first-page":"428","volume":"12","author":"Bhattacharrjee A. K.","year":"1999","journal-title":"Chem. Res. Toxicol."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci6004806","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,15]],"date-time":"2023-03-15T04:54:36Z","timestamp":1678856076000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci6004806"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2007,4,19]]},"references-count":40,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2007,5,1]]}},"alternative-id":["10.1021\/ci6004806"],"URL":"https:\/\/doi.org\/10.1021\/ci6004806","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2007,4,19]]}}}