Exploring QSAR, pharmacophore mapping and docking studies and virtual library generation for cycloguanil derivatives as PfDHFR-TS inhibitors

Medicinal Chemistry

Volumn 7, Issue 3, 2011, Pages 173-199

  Kumar Ojha, Probir ^a   Roy, Kunal ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

Antimalarials; Dihydrofolate reductase thymidylate synthase; Docking; Pharmacophore; QSAR; Validation

Indexed keywords

ANTIMALARIAL AGENT; CYCLOGUANIL DERIVATIVE; DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE INHIBITOR; THYMIDYLATE SYNTHASE; THYMIDYLATE SYNTHASE INHIBITOR; TRIAZINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; COMPUTER MODEL; CONTROLLED STUDY; DRUG CONFORMATION; DRUG DESIGN; DRUG PROTEIN BINDING; ENZYME INHIBITION; HYDROGEN BOND; HYDROPHOBICITY; ISOMER; MOLECULAR DOCKING; MOLECULAR LIBRARY; MUTANT; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RANDOMIZATION; VALIDITY; VIRTUAL REALITY; WILD TYPE;

ANTIMALARIALS; DRUG DESIGN; ENZYME INHIBITORS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PLASMODIUM FALCIPARUM; PROGUANIL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES; STEREOISOMERISM; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYDROFOLATE DEHYDROGENASE; THYMIDYLATE SYNTHASE; TRIAZINES;

EID: 79955776762     PISSN: 15734064     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340611795564295     Document Type: Article

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