In Silico Investigation of the Neurotensin Receptor 1 Binding Site: Overlapping Binding Modes for Small Molecule Antagonists and the Endogenous Peptide Agonist

Molecular Informatics

Volumn 35, Issue 1, 2016, Pages 19-24

  Lückmann, Michael ^a   Holst, Birgitte ^a   Schwartz, Thue W ^a   Frimurer, Thomas M ^a,b  

^a Capital Region   (Denmark)

^b University of Copenhagen   (Denmark)

Author keywords

Docking; Molecular modeling; Virtual screening

Indexed keywords

BINDING ENERGY; CANCER CELLS; CRYSTAL STRUCTURE; DISEASES; LIGANDS; MOLECULES; NEUROLOGY; PEPTIDES;

BINDING MODES; DOCKING; IN-SILICO; LIGAND RECOGNITION; NEUROLOGICAL DISORDERS; NEUROTENSIN; PEPTIDE LIGAND; RECEPTOR-1; SMALL MOLECULES; VIRTUAL SCREENING;

BINDING SITES;

LIGAND; MECLINERTANT; NEUROTENSIN RECEPTOR; NEUROTENSIN RECEPTOR 1; NEUROTENSIN[8-13]; UNCLASSIFIED DRUG; NEUROTENSIN; NEUROTENSIN TYPE 1 RECEPTOR; PEPTIDE; PROTEIN BINDING; PYRAZOLE DERIVATIVE; QUINOLINE DERIVATIVE;

ARTICLE; AUTOMATION; BINDING SITE; COMPUTER MODEL; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG ANTAGONISM; DRUG PROTEIN BINDING; DRUG RECEPTOR BINDING; DRUG SCREENING; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR RECOGNITION; MOLECULE; PRIORITY JOURNAL; VIRTUAL LIGAND SCREENING; VIRTUAL REALITY; AGONISTS; ANTAGONISTS AND INHIBITORS; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG EFFECTS; HUMAN; MOLECULAR MODEL; PROCEDURES; PROTEIN DOMAIN; SIGNAL TRANSDUCTION;

BINDING SITES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; HUMANS; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEUROTENSIN; PEPTIDES; PROTEIN BINDING; PROTEIN DOMAINS; PYRAZOLES; QUINOLINES; RECEPTORS, NEUROTENSIN; SIGNAL TRANSDUCTION;

EID: 84954387499     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201500080     Document Type: Article

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