Novel fragment-based QSAR modeling and combinatorial design of pyrazole-derived CRK3 inhibitors as potent antileishmanials

Chemical Biology and Drug Design

Volumn 84, Issue 1, 2014, Pages 54-62

  Goyal, Sukriti ^a   Dhanjal, Jaspreet K ^b   Tyagi, Chetna ^b   Goyal, Manisha ^a   Grover, Abhinav ^b  

^a BANASTHALI UNIVERSITY   (India)

^b JAWAHARLAL NEHRU UNIVERSITY   (India)

Author keywords

combinatorial library; CRK3; GQSAR; Leishmania; leishmaniasis; QSAR

Indexed keywords

ANTILEISHMANIAL AGENT; CRK3 INHIBITOR; CYCLIN DEPENDENT KINASE; NITROGEN; PROTEIN CRK3; PYRAZOLE DERIVATIVE; UNCLASSIFIED DRUG; ANTIPROTOZOAL AGENT; PROTEIN KINASE INHIBITOR; PYRAZOLE;

ARTICLE; CELL CYCLE G2 PHASE; CELL CYCLE M PHASE; CELL CYCLE PROGRESSION; CELL PROLIFERATION; COMBINATORIAL LIBRARY; DRUG DESIGN; DRUG POTENCY; DRUG PROTEIN BINDING; ENZYME INHIBITION; EVALUATION STUDY; LEISHMANIA; MACROPHAGE; MATHEMATICAL MODEL; MOLECULAR DOCKING; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; ANTAGONISTS AND INHIBITORS; CHEMICAL STRUCTURE; CHEMISTRY; DRUG EFFECTS; ENZYMOLOGY; HUMAN; LEISHMANIASIS; METABOLISM; PARASITOLOGY;

ANTIPROTOZOAL AGENTS; CYCLIN-DEPENDENT KINASES; DRUG DESIGN; HUMANS; LEISHMANIA; LEISHMANIASIS; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; PYRAZOLES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84902687720     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12290     Document Type: Article

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