First report on exploring structural requirements of alpha and beta thymidine analogs for PfTMPK inhibitory activity using in silico studies

BioSystems

Volumn 113, Issue 3, 2013, Pages 177-195

  Ojha, Probir Kumar ^a   Roy, Kunal ^a  

^a JADAVPUR UNIVERSITY   (India)

Author keywords

Docking; Malaria; PfTMPK; Pharmacophore; QSAR

Indexed keywords

ANTIMALARIAL AGENT; MEMBRANE PROTEIN; THYMIDINE DERIVATIVE; THYMIDINE DIPHOSPHATE; THYMIDYLATE KINASE; UNCLASSIFIED DRUG;

CHEMICAL COMPOUND; DRUG RESISTANCE; INHIBITOR; MALARIA; NUMERICAL MODEL; PROTOZOAN;

ANTIMALARIAL ACTIVITY; ARTICLE; CATALYSIS; COMPETITIVE INHIBITION; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG BINDING SITE; DRUG CONFORMATION; DRUG DESIGN; DRUG SYNTHESIS; ELECTROPHILICITY; LIGAND BINDING; MOLECULAR DOCKING; MULTIDRUG RESISTANCE; NONHUMAN; PHARMACOPHORE; PLASMODIUM FALCIPARUM; PROTEIN PHOSPHORYLATION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

PLASMODIUM FALCIPARUM;

DOCKING; MALARIA; PFTMPK; PHARMACOPHORE; QSAR;

COMPUTER SIMULATION; ENZYME INHIBITORS; MODELS, MOLECULAR; NUCLEOSIDE-PHOSPHATE KINASE; PLASMODIUM FALCIPARUM; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84881233819     PISSN: 03032647     EISSN: 18728324     Source Type: Journal    
DOI: 10.1016/j.biosystems.2013.07.005     Document Type: Article

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