Identification of novel antimycobacterial chemical agents through the in silico multi-conformational structure-based drug screening of a large-scale chemical library

European Journal of Medicinal Chemistry

Volumn 60, Issue , 2013, Pages 333-339

  Koseki, Yuji ^a   Kinjo, Tomohiro ^a   Kobayashi, Maiko ^a   Aoki, Shunsuke ^a  

^a KYUSHU INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

Antibiotics; In silico structure based drug screening; Mycobacterium; Thymidine monophosphate kinase (TMPK)

Indexed keywords

2 (4 CHLORO 2 METHYLPHENOXY) N [2 METHOXY 5 (2 OXO 2H CHROMEN 3 YL)PHENYL] ACETAMIDE; 8 QUINOLINYL 4 [(4 CHLOROPHENYL)SULFONYL]BENZOIC ACID; ANTIMYCOBACTERIAL AGENT; BENZYL [(6 CHLORO 2 OXO 4 PROPYL 2H CHROMEN 7 YL)OXY] ACETIC ACID; BENZYL [(6 CHLORO 4 ETHYL 2 OXO 2H CHROMEN 7 YL)OXY] ACETIC ACID; ETHYL [(4 BUTYL 6 CHRORO 2 OXO 2H CHROMEN 7 YL)OXY] ACETIC ACID; METHYL [4 [(4 TERT BUTYLBENZOYL)AMINO]PHENOXY]ACETIC ACID; N [2 [4 (AMINOSULFONYL)PHENYL]ETHYL] 2 (3 ISOPROPOXYPHENYL) 4 QUINOLINECARBOXAMIDE; N [2 [[2 [(4 ETHOXYPHENYL)AMINO] 2 OXOETHYL]THIO] 1,3 BENZOTHIAZOL 6 YL] 2 METHYLBENZAMIDE; N [4 (BENZYLOXY)PHENYL] 1 (4 NITROBENZOYL) 4 PIPERIDINE CARBOXAMIDE; N,N' BIS(4 METHYLPHENYL) 6 [(5 METHYL 1,3,4 THIADIAZOL 2 YL) THIO] 1,3,5 TRIAZINE 2,4 DIAMINE; THYMIDINE PHOSPHATE; UNCLASSIFIED DRUG;

ARTICLE; BACTERIAL GROWTH; CRYSTAL STRUCTURE; CYTOTOXICITY; DRUG CONFORMATION; DRUG RESISTANT TUBERCULOSIS; DRUG SCREENING; ENTEROBACTERIACEAE; LIGAND BINDING; MYCOBACTERIUM; MYCOBACTERIUM SMEGMATIS; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; PROTEIN INTERACTION; PROTEIN STRUCTURE;

ANIMALS; ANTI-BACTERIAL AGENTS; CELL LINE; DOGS; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG EVALUATION, PRECLINICAL; ENZYME INHIBITORS; HUMANS; MADIN DARBY CANINE KIDNEY CELLS; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MYCOBACTERIUM; NUCLEOSIDE-PHOSPHATE KINASE; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84872102896     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2012.12.012     Document Type: Article

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