Design, synthesis, biological evaluation and computational investigation of novel inhibitors of dihydrofolate reductase of opportunistic pathogens

Bioorganic and Medicinal Chemistry

Volumn 18, Issue 9, 2010, Pages 3187-3197

  Bag, Seema ^a   Tawari, Nilesh R ^a   Degani, Mariam S ^a   Queener, Sherry F ^b  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

^b INDIANA UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

2,4 Diaminopyrimidine; Dihydrofolate reductase; Docking; MM GBSA

Indexed keywords

(2,4 DIAMINOPYRIMIDIN 5 YL) METHYL 2 NAPHTHALENESULFONIC ACID; 2,4 DIAMINOPYRIMIDINE DERIVATIVE; 3 (2,4 DIAMINOPYRIMIDIN 5 YL) 1 (4 METHOXYPHENYL)PROP 2 EN 1 ONE; 3 (2,4 DIAMINOPYRIMIDIN 5 YL) 1 [3 (4 METHYLBENZYLOXY)PHENYL]PROP 2 EN 1 ONE; 5 [(10,11 DIHYDRO 5H DIBENZO[B,F]AZEPIN 5 YL)METHYL]PYRIMIDINE 2,4 DIAMINE; 5 [(4 METHOXYPHENYLAMINO)METHYL]PYRIMIDINE 2,4 DIAMINE; 5 [(5H DIBENZO[B,F]AZEPIN 5 YL)METHYL]PYRIMIDINE 2,4 DIAMINE; 5 [(BENZO[D]OXAZOL 2 YLTHIO)METHYL]PYRIMIDINE 2,4 DIAMINE; 5 [(NAPHTHALEN 1 YLAMINO)METHYL]PYRIMIDINE 2,4 DIAMINE; 5 [[METHYL(NAPHTHALEN 1 YL)AMINO]METHYL]PYRIMIDINE 2,4 DIAMINE; 6 (3,4,5 TRIMETHOXYBENZYLOXY)PYRIMIDINE 2,4 DIAMINE; 6 [(10,11 DIHYDRO 5H DIBENZO[B,F]AZEPIN 5 YL)METHYL] 1,3,5 TRIAZINE 2,4 DIAMINE; 6 [(10H PHENOTHIAZIN 10 YL)METHYL] 1,3,5 TRIAZINE 2,4 DIAMINE; 6 [(2 CHLORO 10H PHENOTHIAZIN 10 YL)METHYL] 1,3,5 TRIAZINE 2,4 DIAMINE; 6 [2 (5H DIBENZO[B,F]AZEPIN 5 YL)ETHOXY]PYRIMIDINE 2,4 DIAMINE; DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE INHIBITOR; TRIMETHOPRIM; UNCLASSIFIED DRUG;

ANIMAL TISSUE; ANTIBACTERIAL ACTIVITY; ARTICLE; BINDING AFFINITY; BINDING KINETICS; CONTROLLED STUDY; DRUG DESIGN; DRUG SCREENING; DRUG SELECTIVITY; DRUG STRUCTURE; DRUG SYNTHESIS; ENZYME ACTIVE SITE; ENZYME ASSAY; ENZYME INHIBITION; IC 50; MAMMAL; MOLECULAR DOCKING; MYCOBACTERIUM AVIUM; NONHUMAN; PHARMACOPHORE; PNEUMOCYSTIS CARINII; PREDICTION; RAT; TOXOPLASMA GONDII;

ANIMALS; ANTI-INFECTIVE AGENTS; CATALYTIC DOMAIN; COMPUTER SIMULATION; DRUG DESIGN; FOLIC ACID ANTAGONISTS; INHIBITORY CONCENTRATION 50; LIVER; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MYCOBACTERIUM AVIUM; PNEUMOCYSTIS CARINII; RATS; TETRAHYDROFOLATE DEHYDROGENASE; THERMODYNAMICS; TOXOPLASMA;

MAMMALIA; MYCOBACTERIUM AVIUM; PNEUMOCYSTIS CARINII; RATTUS; TOXOPLASMA GONDII;

EID: 77951203645     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2010.03.031     Document Type: Article

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