Computational approaches for the design of modulators targeting protein-protein interactions.

ABSTRACT:

Background

Protein-protein interactions (PPIs) are intriguing targets for designing novel small-molecule inhibitors. The role of PPIs in various infectious and neurodegenerative disorders makes them potential therapeutic targets . Despite being portrayed as undruggable targets, due to their flat surfaces, disorderedness, and lack of grooves. Recent progresses in computational biology have led researchers to reconsider PPIs in drug discovery.

Areas covered

In this review, we introduce in-silico methods used to identify PPI interfaces and present an in-depth overview of various computational methodologies that are successfully applied to annotate the PPIs. We also discuss several successful case studies that use computational tools to understand PPIs modulation and their key r

SUBMITTER: Rehman AU 

PROVIDER: S-EPMC10149343 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature