CoMFA, LeapFrog and blind docking studies on sulfonanilide derivatives acting as selective aromatase expression regulators

European Journal of Medicinal Chemistry

Volumn 44, Issue 9, 2009, Pages 3445-3451

  Gueto, Carlos ^a   Torres, Juan ^a   Vivas Reyes, Ricardo ^a  

^a UNIVERSIDAD DE CARTAGENA   (Colombia)

Author keywords

3D QSAR; Blind docking; CoMFA; eHiTS; LeapFrog; SAERs; Sulfonanilide

Indexed keywords

ANILIDE; CYCLOOXYGENASE 2 INHIBITOR; SELECTIVE AROMATASE EXPRESSION REGULATOR; SULFONE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; COMPARATIVE MOLECULAR FIELD ANALYSIS; DRUG ACTIVITY; DRUG POTENCY; DRUG STRUCTURE; MOLECULAR DOCKING; STRUCTURE ACTIVITY RELATION;

ANILIDES; ANIMALS; ANTINEOPLASTIC AGENTS; AROMATASE; BREAST NEOPLASMS; CATALYTIC DOMAIN; CELL LINE, TUMOR; COMPUTER SIMULATION; CYCLOOXYGENASE 2; DRUG DESIGN; FEMALE; GENE EXPRESSION REGULATION, NEOPLASTIC; HUMANS; LEAST-SQUARES ANALYSIS; MICE; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SULFONES;

EID: 67650422403     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.02.003     Document Type: Article

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