Journal article

Design and synthesis of type-III mimetics of omega-conotoxin GVIA

JB Baell, SA Forsyth, RW Gable, RS Norton, RJ Mulder

Journal of Computer-Aided Molecular Design | SPRINGER | Published : 2001

Abstract

Our interest lies in the rational design and synthesis of type-III mimetics of protein and polypeptide structure and function. Our approach involves interactive design of conformationally defined molecular scaffolds that project certain functional groups in a way that mimics the projection of important binding residues as determined in the parent structure. These design principles are discussed and applied to the structurally defined polypeptide, omega-conotoxin GVIA, which blocks voltage-gated, neuronal N-type calcium channels. These ion channels represent therapeutic targets for the development of new analgesics that can treat chronic pain. It is shown how a discontinuous, 3-residue pharma..

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University of Melbourne Researchers