Probing the structure of leishmania major DHFR TS and structure based virtual screening of peptide library for the identification of anti-Leishmanial leads

Journal of Molecular Modeling

Volumn 18, Issue 9, 2012, Pages 4089-4100

  Rajasekaran, Rajalakshmi ^a   Chen, Yi Ping Phoebe ^a  

^a LA TROBE UNIVERSITY   (Australia)

Author keywords

Dihydrofolate reductase thymidylate synthase; Docking; Homology modeling; Leishmaniasis; Molecular dynamics; Virtual Screening

Indexed keywords

DIHYDROFOLATE REDUCTASE; DIHYDROFOLATE REDUCTASE THYMIDYLATE SYNTHASE; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; CRYSTAL STRUCTURE; LEISHMANIA MAJOR; LEISHMANIASIS; MOLECULAR DYNAMICS; MOLECULAR PROBE; PEPTIDE LIBRARY; PLASMODIUM FALCIPARUM; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN DATA BANK; PROTEIN PROCESSING; PROTEIN STRUCTURE; SEQUENCE HOMOLOGY; TRYPANOSOMA CRUZI; VIRTUAL REALITY;

AMINO ACIDS; ANTIPROTOZOAL AGENTS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG EVALUATION, PRECLINICAL; HYDROGEN BONDING; LEISHMANIA MAJOR; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MULTIENZYME COMPLEXES; PEPTIDE LIBRARY; PROTEIN STRUCTURE, SECONDARY; STRUCTURE-ACTIVITY RELATIONSHIP; TETRAHYDROFOLATE DEHYDROGENASE; THERMODYNAMICS; THYMIDYLATE SYNTHASE; USER-COMPUTER INTERFACE;

LEISHMANIA MAJOR; PLASMODIUM FALCIPARUM; PROTOZOA; TRYPANOSOMA CRUZI;

EID: 84867578393     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1411-6     Document Type: Article

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