Proteome-Wide Identification and Comparison of Drug Pockets for Discovering New Drug Indications and Side Effects.

ABSTRACT: Drug development faces significant financial and time challenges, highlighting the need for more efficient strategies. This study evaluated the druggability of the entire human proteome using Fpocket. We identified 15,043 druggable pockets in 20,255 predicted protein structures, significantly expanding the estimated druggable proteome from 3000 to over 11,000 proteins. Notably, many druggable pockets were found in less studied proteins, suggesting untapped therapeutic opportunities. The results of a pairwise pocket similarity analysis identified 220,312 similar pocket pairs, with 3241 pairs across different protein families, indicating shared drug-binding potential. In addition, 62,077 significant matches were found between druggable pockets and 1872 known drug pockets, highlighting candid

SUBMITTER: Zhang R 

PROVIDER: S-EPMC11767986 | biostudies-literature | 2025 Jan

REPOSITORIES: biostudies-literature