草根已死 发表于 2016-4-5 09:28:50

Roche运用CADD优化leading compounds实例10个，JMC-2016

A Real-World Perspective on Molecular Design——————Miniperspective

Roche Pharmaceutical Research and Early Development, Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, 4070 Basel, Switzerland

journal of medicinal chemistry, in press

DPP-IV      Filling a lipophilic pocket                        Affinity increase while balancing polarity
FABP 4/5   Targeting specific residue differences in the binding site          Affinity and selectivity increase
等
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