Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase

European Journal of Medicinal Chemistry

Volumn 103, Issue , 2015, Pages 600-614

  Srinivasan, Bharath ^a   Tonddast Navaei, Sam ^a   Skolnick, Jeffrey ^a  

^a GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

2,4 Diamino 1,2,4 triazine; 2,4 Diamino 1,3,5 triazine; Drug discovery; Escherichia coli dihydrofolate reductase; Inhibition kinetics; Mechanistic characterization; QSAR

Indexed keywords

1 PHENYL 6,6 DIMETHYL 1,3,5 TRIAZINE 2,4 DIAMINE DERIVATIVE; 4 [4 [3 (4,6 DIAMINO 2,2 DIMETHYL 1,3,5 TRIAZINE 1 YL)PHENYL]BUTYL]BENZENESULFONYL FLUORIDE; 4 [6 [4 (4,6 DIAMINO 2,2 DIMETHYL 1,3,5 TRIAZIN 1 YL)PHENYL]HEXYL]BENZENESULFONYL FLUORIDE; ANTIBIOTIC AGENT; DIHYDROFOLATE REDUCTASE INHIBITOR; DIHYDROFOLIC ACID; LAMOTRIGINE; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; UNCLASSIFIED DRUG; DIHYDROFOLATE REDUCTASE; FOLIC ACID ANTAGONIST; LIGAND; NSC120927; SULFONE; TRIAZINE DERIVATIVE;

ARTICLE; BINDING AFFINITY; BINDING SITE; DOSE RESPONSE; DRUG POTENCY; ENZYME BINDING; ENZYME INHIBITION; FLUOROMETRY; IC50; INHIBITION KINETICS; LIGAND BINDING; MOLECULAR DOCKING; NONHUMAN; QUANTITATIVE STRUCTURE ACTIVITY RELATION; CHEMICAL STRUCTURE; CHEMISTRY; DRUG EFFECTS; ENZYMOLOGY; ESCHERICHIA COLI; METABOLISM; STRUCTURE ACTIVITY RELATION; SYNTHESIS;

BINDING SITES; DOSE-RESPONSE RELATIONSHIP, DRUG; ESCHERICHIA COLI; FOLIC ACID ANTAGONISTS; LIGANDS; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP; SULFONES; TETRAHYDROFOLATE DEHYDROGENASE; TRIAZINES;

EID: 84953410718     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2015.08.021     Document Type: Article

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