Insights into the structural determinants for selective inhibition of nitric oxide synthase isoforms

Journal of Molecular Modeling

Volumn 19, Issue 4, 2013, Pages 1537-1551

  Oliveira, Bruno L ^a   Moreira, Irina S ^b   Fernandes, Pedro A ^b   Ramos, Maria J ^b   Santos, Isabel ^a   Correia, João D G ^a  

^a INSTITUTO SUPERIOR TÉCNICO   (Portugal)

^b UNIVERSITY OF PORTO   (Portugal)

Author keywords

Docking; Isoselectivity; Medicinal chemistry; Molecular dynamics; Nitric oxide synthase

Indexed keywords

4[ [4 [(4 METHOXYPYRIDIN 2 YL)AMINO]PIPERIDIN 1 YL]CARBONYL] BENZONITRILE; AMINOPYRIDINE DERIVATIVE; ENDOTHELIAL NITRIC OXIDE SYNTHASE; GLUTAMINE; HEME; INDUCIBLE NITRIC OXIDE SYNTHASE; ISOENZYME; N(G) NITROARGININE METHYL ESTER; N[4 [(6 AMINO 4 METHYLPYRIDIN 2 YL)METHYL]PYRROLIDIN 3 YL]N'[2 (3 FLUOROPHENYL)ETHYL]ETHANE 1,2 DIAMINE; NEURONAL NITRIC OXIDE SYNTHASE; NITRIC OXIDE SYNTHASE INHIBITOR; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CONTROLLED STUDY; DRUG DESIGN; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME INHIBITION; ENZYME STRUCTURE; MOLECULAR DOCKING; PRIORITY JOURNAL; STATIC ELECTRICITY;

AMINOPYRIDINES; ARGININE; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HEME; HUMANS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NITRIC OXIDE SYNTHASE TYPE I; NITRIC OXIDE SYNTHASE TYPE II; NITRIC OXIDE SYNTHASE TYPE III; PROTEIN BINDING; STATIC ELECTRICITY;

EID: 84876407327     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1677-8     Document Type: Article

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