Exploring the ligand recognition properties of the human vasopressin V1a receptor using QSAR and molecular modeling studies

Chemical Biology and Drug Design

Volumn 83, Issue 2, 2014, Pages 207-223

  Contreras Romo, Martha C ^a   Martínez Archundia, Marlet ^b   Deeb, Omar ^c   Ślusarz, Magdalena J ^d   Ramírez Salinas, Gema ^b   Garduño Juárez, Ramõn ^e   Quintanar Stephano, Andrés ^a   Ramírez Galicia, Guillermo ^f   Correa Basurto, José ^b  

^a Autonomous University of Aguascalientes Centro de Ciencias Basicas   (Mexico)

^b INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^c AL QUDS UNIVERSITY   (Palestine)

^d UNIVERSITY OF GDA SK   (Poland)

^e INSTITUTO DE CIENCIAS FÍSICAS   (Mexico)

^f UNIVERSIDAD DEL PAPALOAPAN   (Mexico)

Author keywords

docking; MD simulations; QSAR studies; V1aR; vaptans

Indexed keywords

1 [1 [4 (3 ACETAMIDOPROPOXY)BENZOYL] 4 PIPERIDYL] 1,2,3,4 TETRAHYDRO 2 QUINOLINONE; 1 BENZENESULFONYL 2,3 DIHYDRO 1H INDOLE; BENZOAZEPINE; BENZODIAZEPINE; CONIVAPTAN; LIGAND; LIXIVAPTAN; MOZAVAPTAN; NELIVAPTAN; OPM 41061; RELCOVAPTAN; SATAVAPTAN; TOLVAPTAN; UNCLASSIFIED DRUG; VASOPRESSIN RECEPTOR ANTAGONIST;

ARTICLE; ARTIFICIAL NEURAL NETWORK; CONTROLLED STUDY; DRUG BINDING; DRUG BIOAVAILABILITY; DRUG CONFORMATION; DRUG STABILITY; DRUG STRUCTURE; DRUG TARGETING; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; MOLECULAR RECOGNITION; PRIORITY JOURNAL; PROTEIN FOLDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATIC ELECTRICITY; WORK;

DOCKING; MD SIMULATIONS; QSAR STUDIES; V1AR; VAPTANS;

BENZODIAZEPINES; BINDING SITES; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MOLECULAR DOCKING SIMULATION; NEURAL NETWORKS (COMPUTER); PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, VASOPRESSIN;

EID: 84892519037     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12229     Document Type: Article

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