Structure-based drug design: aiming for a perfect fit.

ABSTRACT: Knowledge of the three-dimensional structure of therapeutically relevant targets has informed drug discovery since the first protein structures were determined using X-ray crystallography in the 1950s and 1960s. In this editorial we provide a brief overview of the powerful impact of structure-based drug design (SBDD), which has its roots in computational and structural biology, with major contributions from both academia and industry. We describe advances in the application of SBDD for integral membrane protein targets that have traditionally proved very challenging. We emphasize the major progress made in fragment-based approaches for which success has been exemplified by over 30 clinical drug candidates and importantly three FDA-approved drugs in oncology. We summarize the articles in th

SUBMITTER: van Montfort RLM 

PROVIDER: S-EPMC5869280 | biostudies-literature | 2017 Nov

REPOSITORIES: biostudies-literature