NMR-assisted computational studies of peptidomimetic inhibitors bound in the hydrophobic pocket of HIV-1 glycoprotein 41

Journal of Computer-Aided Molecular Design

Volumn 27, Issue 7, 2013, Pages 569-582

  Gochin, Miriam ^a,b   Whitby, Landon R ^c   Phillips, Aaron H ^a   Boger, Dale L ^c  

^a Touro University California   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

HIV 1 glycoprotein 41; Molecular docking; NMR; Paramagnetic relaxation; Peptidomimetic inhibitors; Protein protein interaction

Indexed keywords

ASSOCIATION REACTIONS; BINDING ENERGY; CHAINS; DISEASES; HYDROPHOBICITY; MOLECULES; NUCLEAR MAGNETIC RESONANCE; PARAMAGNETISM; PROTEINS; VIRUSES;

COMPUTATIONAL DOCKINGS; HIV-1 GLYCOPROTEIN-41; HYDROPHOBIC POCKETS; MOLECULAR DOCKING; PARAMAGNETIC RELAXATION; PEPTIDOMIMETIC INHIBITOR; PEPTIDOMIMETICS; PROTEIN-PROTEIN INTERACTIONS; SIDE-CHAINS; SMALL MOLECULES;

GLYCOPROTEINS;

GLYCOPROTEIN GP 41; PEPTIDOMIMETIC INHIBITOR; PROTEIN INHIBITOR; UNCLASSIFIED DRUG; PEPTIDOMIMETIC AGENT;

ALPHA HELIX; AMINO TERMINAL SEQUENCE; ARTICLE; BINDING AFFINITY; CARBOXY TERMINAL SEQUENCE; CELL INTERACTION; COMBINATORIAL LIBRARY; DRUG STRUCTURE; ELECTRON SPIN RESONANCE; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PREDICTION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN MOTIF; PROTEIN PROTEIN INTERACTION; PROTEIN STRUCTURE; SIMULATION; VIRUS CELL INTERACTION; ANTAGONISTS AND INHIBITORS; BINDING SITE; CHEMICAL PHENOMENA; CHEMISTRY; PROTEIN SECONDARY STRUCTURE;

BINDING SITES; HIV ENVELOPE PROTEIN GP41; HIV-1; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; PEPTIDOMIMETICS; PROTEIN STRUCTURE, SECONDARY;

EID: 84882263100     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-013-9662-6     Document Type: Article

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