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Rational Drug Design Targeting Intrinsically Disordered Proteins by Hanping Wang; Ruoyao Xiong; Luhua Lai is a Physics and Astronomy article available to read on EtoBox.

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## Abstract Intrinsically disordered proteins (IDPs) are proteins that perform important biological functions without well‐defined structures under physiological conditions. IDPs can form fuzzy complexes with other molecules, participate in the formation of membraneless organelles, and function as hubs in protein–protein interaction networks. The malfunction of IDPs causes major human diseases. However, drug design targeting IDPs remains challenging due to their highly dynamic structures and fuzzy interactions. Turning IDPs into druggable targets provides a great opportunity to extend the druggable target‐space for novel drug discovery. Integrative structural biology approaches that combine information derived from computational simulations, artificial intelligence/data‐driven analysis and experimental studies have been used to uncover the dynamic structures and interactions of IDPs. An increasing number of ligands that directly bind IDPs have been found either by target‐based experimental and computational screening or phenotypic screening. Along with the understanding of IDP binding with its partners, structure‐based drug design strategies, especially conformational ensemble‐base

Who reads Rational Drug Design Targeting Intrinsically Disordered Proteins?

Author

Hanping Wang; Ruoyao Xiong; Luhua Lai

Publisher

Wiley

Published

2023

Field

Physics and Astronomy (Physical Sciences)