Development of selective DprE1 inhibitors: Design, synthesis, crystal structure and antitubercular activity of benzothiazolylpyrimidine-5-carboxamides

European Journal of Medicinal Chemistry

Volumn 96, Issue , 2015, Pages 30-46

  Chikhale, Rupesh ^a   Menghani, Sunil ^a   Babu, Ramavath ^b   Bansode, Ratnadeep ^c   Bhargavi, G ^b   Karodia, Nazira ^c   Rajasekharan, M V ^b   Paradkar, Anant ^c   Khedekar, Pramod ^a,c  

^a RTM NAGPUR UNIVERSITY   (India)

^b UNIVERSITY OF HYDERABAD   (India)

^c UNIVERSITY OF BRADFORD   (United Kingdom)

Author keywords

3D QSAR; Benzothiazole; Crystal structure; DprE1 inhibitors; Molecular docking; Pharmacophore modelling

Indexed keywords

AMIDE; ASPARAGINE; BENZOTHIAZOLE DERIVATIVE; CYSTEINE; DECAPRENYLPHOSPHORYL BETA DEXTRO RIBOSE 20 EPIMERASE; DECAPRENYLPHOSPHORYL BETA DEXTRO RIBOSE 20 EPIMERASE INHIBITOR; DIMER; EPIMERASE; GLUTAMINE; ISONIAZID; LYSINE; N (BENZO[D]THIAZOL 2 YL) 1,2,3,4 TETRAHYDRO 6 METHYL 4 PHENYL 2 THIOXOPYRIMIDINE 5 CARBOXAMIDE; N (BENZO[D]THIAZOL 2 YL) 4 (4 (DIMETHYLAMINO)PHENYL) 1,2,3,4 TETRAHYDRO 6 METHYL 2 THIOXOPYRIMIDINE 5 CARBOXAMIDE; N (BENZO[D]THIAZOL 2 YL) 4 (4 (TRIFLUOROMETHYL)PHENYL) 1,2,3,4 TETRAHYDRO 6 METHYL 2 THIOXOPYRIMIDINE 5 CARBOXAMIDE; N (BENZO[D]THIAZOL 2 YL) 4 (4 FLUOROPHENYL) 1,2,3,4 TETRAHYDRO 6 METHYL 2 THIOXOPYRIMIDINE 5 CARBOXAMIDE; PYRIMIDINE DERIVATIVE; TYROSINE; UNCLASSIFIED DRUG; ALCOHOL DEHYDROGENASE; BACTERIAL PROTEIN; DPRE1 PROTEIN, MYCOBACTERIUM TUBERCULOSIS; TUBERCULOSTATIC AGENT;

ANIMAL EXPERIMENT; ANTIBACTERIAL ACTIVITY; ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG BIOAVAILABILITY; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; DRUG SYNTHESIS; ENZYME ACTIVE SITE; HYDROGEN BOND; HYDROPHOBICITY; MINIMUM INHIBITORY CONCENTRATION; MOLECULAR DOCKING; MOLECULAR INTERACTION; MYCOBACTERIUM TUBERCULOSIS; NONHUMAN; ONE POT SYNTHESIS; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; THEORETICAL MODEL; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; DOSE RESPONSE; DRUG EFFECTS; METABOLISM; MICROBIAL SENSITIVITY TEST; STRUCTURE ACTIVITY RELATION; SYNTHESIS; X RAY CRYSTALLOGRAPHY;

ALCOHOL OXIDOREDUCTASES; ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; BENZOTHIAZOLES; CRYSTALLOGRAPHY, X-RAY; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DESIGN; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MYCOBACTERIUM TUBERCULOSIS; PYRIMIDINES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84947618990     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2015.04.011     Document Type: Article

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