Design of Benzene-1,2-diamines as selective inducible nitric oxide synthase inhibitors: A combined de novo design and docking analysis

Journal of Molecular Modeling

Volumn 14, Issue 3, 2008, Pages 215-224

  Francis, Sandrea M ^a   Mittal, Amit ^a   Sharma, Manishika ^a   Bharatam, Prasad V ^a  

^a NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH NIPER   (India)

Author keywords

1,2 Diaminobenzene derivatives; De novo design; Inducible nitric oxide synthase (iNOS); Molecular docking; Selective inhibitors

Indexed keywords

1,2 PHENYLENEDIAMINE; DRUG ANALOG; GLUTAMIC ACID; INDUCIBLE NITRIC OXIDE SYNTHASE; MOLECULAR SCAFFOLD; NITRIC OXIDE SYNTHASE INHIBITOR; TRYPTOPHAN; DIAMINE; ENZYME INHIBITOR; ISOENZYME; LIGAND; PEPTIDE FRAGMENT;

AMINO ACID SEQUENCE; ARTICLE; COMBINATORIAL CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; DRUG DESIGN; DRUG IDENTIFICATION; DRUG RECEPTOR BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME SUBSTRATE COMPLEX; HUMAN; MATHEMATICAL ANALYSIS; MOLECULAR DOCKING; NONHUMAN; PRIORITY JOURNAL; CHEMISTRY; DRUG ANTAGONISM; HYDROGEN BOND;

DIAMINES; DRUG DESIGN; ENZYME INHIBITORS; HUMANS; HYDROGEN BONDING; ISOENZYMES; LIGANDS; NITRIC OXIDE SYNTHASE TYPE II; PEPTIDE FRAGMENTS;

EID: 42249114709     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0263-y     Document Type: Article

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