Structural analysis of dihydrofolate reductases enables rationalization of antifolate binding affinities and suggests repurposing possibilities

FEBS Journal

Volumn 283, Issue 6, 2016, Pages 1139-1167

  Bhosle, Amrisha ^a   Chandra, Nagasuma ^a  

^a INDIAN INSTITUTE OF SCIENCE   (India)

Author keywords

antifolate repurposing; antifolate DHFR network; druggable space; site typing; substructural similarity; supersites

Indexed keywords

5 [3(2,5 DIMETHOXYPHENYL)PROP 1 YN 1YL] 6 ETHYLPYRIMIDINE 2,4 DIAMINE; DIHYDROFOLATE REDUCTASE; FOLIC ACID; FOLIC ACID ANTAGONIST; REDUCED NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE; TRIMETHOPRIM DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; BINDING SITE; DRUG REPOSITIONING; DRUG SELECTIVITY; DRUG TARGETING; ENZYME INHIBITION; MOLECULAR DOCKING; PRIORITY JOURNAL; STRUCTURE ANALYSIS; AMINO ACID SEQUENCE; ANIMAL; CHEMISTRY; DRUG DESIGN; ENZYME ACTIVE SITE; GENETICS; HUMAN; METABOLISM; MOLECULAR GENETICS; PHYLOGENY; PROCEDURES; SPECIES DIFFERENCE; STRUCTURAL HOMOLOGY; VALIDATION STUDY;

AMINO ACID SEQUENCE; ANIMALS; CATALYTIC DOMAIN; DRUG DESIGN; DRUG REPOSITIONING; FOLIC ACID ANTAGONISTS; HUMANS; MOLECULAR SEQUENCE DATA; PHYLOGENY; SPECIES SPECIFICITY; STRUCTURAL HOMOLOGY, PROTEIN; TETRAHYDROFOLATE DEHYDROGENASE;

EID: 84959378663     PISSN: 1742464X     EISSN: 17424658     Source Type: Journal    
DOI: 10.1111/febs.13662     Document Type: Article

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