A combined virtual screening 2D and 3D QSAR methodology for the selection of new anticonvulsant candidates from a natural product library

QSAR and Combinatorial Science

Volumn 27, Issue 9, 2008, Pages 1120-1129

  Gavernet, Luciana ^a   Talevi, Alan ^a,b   Castro, Eduardo A ^b   Bruno Blanch, Luis E ^a  

^a FACULTAD DE CIENCIAS EXACTAS   (Argentina)

^b INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

Author keywords

Pharmacophore; Virtual screening

Indexed keywords

BIOCHEMISTRY; COMPUTATIONAL CHEMISTRY; DIGITAL LIBRARIES; GLOBAL OPTIMIZATION; PHARMACODYNAMICS;

3D-QSAR; DESCRIPTORS; DISCRIMINANT FUNCTIONS; ENERGY DIFFERENCES; GLOBAL MINIMUM; NATURAL PRODUCT LIBRARIES; NATURAL PRODUCTS; ORAL BIOAVAILABILITIES; PHARMACOPHORES; VIRTUAL SCREENING;

CONFORMATIONS;

2 (4,6 DIMETHYL 1 BENZOFURAN 3 YL)ACETIC ACID; ANTICONVULSIVE AGENT; NATURAL PRODUCT; UNCLASSIFIED DRUG;

ANIMAL EXPERIMENT; ANTICONVULSANT ACTIVITY; ARTICLE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DOSE RESPONSE; DRUG BIOAVAILABILITY; DRUG CONFORMATION; DRUG DOSE COMPARISON; DRUG SCREENING; DRUG STRUCTURE; METHODOLOGY; MOUSE; NEUROTOXICITY; NONHUMAN; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATION; TWO DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATION;

MUS;

EID: 57349164487     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200730055     Document Type: Article

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