Structure - Activity relationship and comparative docking studies for cycloguanil analogs as PfDHFR-TS inhibitors

Journal of Chemical Information and Modeling

Volumn 49, Issue 7, 2009, Pages 1787-1796

  Sivaprakasam, Prasanna ^a   Tosso, Perrer N ^a,b,d   Doerksen, Robert J ^a,c  

^a UNIVERSITY OF MISSISSIPPI   (United States)

^b NORFOLK STATE UNIVERSITY   (United States)

^c UNIVERSITY OF MISSISSIPPI   (United States)

^d GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GOLD; HYDROPHOBICITY; MALARIA CONTROL; MOLECULAR MODELING; PHYSICOCHEMICAL PROPERTIES; STRUCTURES (BUILT OBJECTS);

BINDING AFFINITIES; DIHYDROFOLATE REDUCTASE; DOCKING ALGORITHMS; INTERACTION INDEX; PLASMODIUM FALCIPARUM; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP METHODS; SCORING FUNCTIONS; STRUCTURE ACTIVITY RELATIONSHIPS;

BINDING ENERGY;

ANTIMALARIAL AGENT; CYCLOGUANIL; DIHYDROFOLATE REDUCTASE; PROGUANIL; TRIAZINE DERIVATIVE;

ANIMAL; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG RESISTANCE; ENZYMOLOGY; GENETICS; HYDROPHOBICITY; METABOLISM; MUTATION; PLASMODIUM FALCIPARUM; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANIMALS; ANTIMALARIALS; CHLOROGUANIDE; DRUG RESISTANCE; HYDROPHOBICITY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTATION; PLASMODIUM FALCIPARUM; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYDROFOLATE DEHYDROGENASE; TRIAZINES;

EID: 68149137312     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci9000663     Document Type: Article

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