Molecular docking and molecular dynamics study on SmHDAC1 to identify potential lead compounds against Schistosomiasis

Molecular Biology Reports

Volumn 42, Issue 3, 2015, Pages 689-698

  Singh, Raghvendra ^a   Pandey, Paras Nath ^a  

^a UNIVERSITY OF ALLAHABAD   (India)

Author keywords

Homology modeling; Molecular docking; Schistosomiasis; SmHDAC1; Virtual screening

Indexed keywords

HISTONE DEACETYLASE 1; HISTONE DEACETYLASE INHIBITOR; N,8 DIHYDROXY 8 (NAPHTHALEN 2 YL)OCTANAMIDE; UNCLASSIFIED DRUG; ANTISCHISTOSOMAL AGENT; HELMINTH PROTEIN; PROTEIN BINDING;

AMINO ACID SEQUENCE; ARTICLE; BINDING AFFINITY; CATALYSIS; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG PROTEIN BINDING; DRUG STRUCTURE; ENZYME INHIBITION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; POISSON DISTRIBUTION; PROTEIN BINDING; PROTEIN PROTEIN INTERACTION; SCHISTOSOMA MANSONI; SCHISTOSOMIASIS; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; BINDING SITE; CHEMISTRY; CONFORMATION; DRUG DEVELOPMENT; ENZYME ACTIVE SITE; HUMAN; METABOLISM; MOLECULAR GENETICS; PROCEDURES;

AMINO ACID SEQUENCE; BINDING SITES; CATALYTIC DOMAIN; DRUG DISCOVERY; HELMINTH PROTEINS; HISTONE DEACETYLASE 1; HISTONE DEACETYLASE INHIBITORS; HUMANS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; MOLECULAR SEQUENCE DATA; PROTEIN BINDING; SCHISTOSOMICIDES; SEQUENCE ALIGNMENT;

EID: 84925543748     PISSN: 03014851     EISSN: 15734978     Source Type: Journal    
DOI: 10.1007/s11033-014-3816-z     Document Type: Article

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