Rational Design of GPCR‐Specific Combinational Libraries Based on the Concept of Privileged Substructures
Nikolay Savchuk, Sergey E. Tkachenko, Konstantin V. Balakin · Methods and principles in medicinal chemistry · 2005
This chapter contains sections titled: Introduction – Combinatorial Chemistry and Rational Drug Design Rational Selection of Building Blocks Based on Privileged Structural Motifs Privileged Structures and Substructures in the Design of Pharmacologically Relevant Combinatorial Libraries Analysis of Privileged Structural Motifs: Structure Dissection Rules Knowledge Database Target-specific Differences in Distribution of Molecular Fragments Privileged versus Peripheral Retrosynthetic Fragments Peripheral Retrosynthetic Fragments: How to Measure the Target-specific Differences? Selection of Building Blocks Product-based Approach: Limiting the Space of Virtual Libraries Alternative Strategy: Property-based Approach Kohonen Self-organizing Maps Conclusions