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Bioorganic and Medicinal Chemistry

Volumn 12, Issue 24, 2004, Pages 6527-6537

A molecular docking study of estrogenically active compounds with 1,2-diarylethane and 1,2-diarylethene pharmacophores

(5) Kekenes Huskey, Peter M a,b Muegge, Ingo c Rauch, Moriz Von a Gust, Ronald a Knapp, Ernst Walter a

a FREIE UNIVERSITÄT BERLIN (Germany)

b CALIFORNIA INSTITUTE OF TECHNOLOGY (United States)

c BOEHRINGER INGELHEIM PHARMACEUTICALS INC (United States)

Author keywords

Agonistic and antagonistic binding modes; Anchor points; Binding pocket; Drug design; Estrogen receptor ligands; Molecular docking

Indexed keywords

4 HYDROXYTAMOXIFEN; DIETHYLSTILBESTROL; ESTRADIOL; ETHANE; ETHYLENE; RALOXIFENE; SELECTIVE ESTROGEN RECEPTOR MODULATOR;

ARTICLE; BINDING AFFINITY; CHEMICAL ANALYSIS; DRUG BINDING; DRUG STABILITY; ESTROGEN ACTIVITY; HYDROGEN BOND; PHARMACOPHORE;

COMPUTER SIMULATION; ESTROGEN ANTAGONISTS; ESTROGENS; ETHANE; ETHYLENES; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; RECEPTORS, ESTROGEN; SELECTIVE ESTROGEN RECEPTOR MODULATORS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 8844265178 PISSN: 09680896 EISSN: None Source Type: Journal
DOI: 10.1016/j.bmc.2004.09.022 Document Type: Article

Times cited : (31)

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