Protein Crystallography in Drug Discovery

Fernanda      Canduri; Walter   Filgueira   de Azevedo Jr.

Abstract

Protein crystallography is the main technique used to obtain three-dimensional information for binary complexes involving protein and drugs. Once a protein target has its three-dimensional structure elucidated, the next natural step is the solving of the structure complexed either with its natural substrate, or any ligand or even an inhibitor. Such information is of pivotal importance to understand the structural basis for inhibition of an enzyme. The relevant features, for application of protein crystallography to drug discovery, are discussed in this review.

Keywords: Protein, Crystallography, Drug Discovery, three-dimensional structure, natural substrate, ligand, enzyme, inhibitor