From hit to lead. Combining two complementary methods for focused library design. Application to μ opiate ligands

R Poulain, D Horvath, B Bonnet, C Eckhoff…

文献索引：Poulain; Horvath; Bonnet; Eckhoff; Chapelain; Bodinier; Deprez Journal of Medicinal Chemistry, 2001 , vol. 44, # 21 p. 3378 - 3390

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被引用次数: 50

摘要

Compound 1 obtained by random screening and displaying a micromolar activity on the μ opiate receptor was chosen as a starting point for optimization. Two complementary concepts of similarity were used for the design of analogues and compared. These are based, respectively, on a computer-aided comparison of pharmacophoric patterns and on topological similarity. The structure-activity relationships are discussed in light of both ...