High-throughput virtual search of small molecules for controlling the mechanical stability of human CD4.

ABSTRACT: Protein mechanical stability determines the function of a myriad of proteins, especially proteins from the extracellular matrix. Failure to maintain protein mechanical stability may result in diseases and disorders such as cancer, cardiomyopathies, or muscular dystrophy. Thus, developing mutation-free approaches to enhance and control the mechanical stability of proteins using pharmacology-based methods may have important implications in drug development and discovery. Here, we present the first approach that employs computational high-throughput virtual screening and molecular docking to search for small molecules in chemical libraries that function as mechano-regulators of the stability of human cluster of differentiation 4, receptor of HIV-1. Using single-molecule force spectroscopy, we

SUBMITTER: Reifs A 

PROVIDER: S-EPMC11065764 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature