Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency

Wei Zhou; Gaya P. Yadav; Xiaozhi Yang; Feng Qin; Chenglong Li; Qiu-Xing Jiang

doi:10.1038/s42003-022-03991-9

Communications Biology (Oct 2022)

Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency

Wei Zhou,
Gaya P. Yadav,
Xiaozhi Yang,
Feng Qin,
Chenglong Li,
Qiu-Xing Jiang

Affiliations

Wei Zhou: Department of Medicinal Chemistry, College of Pharmacy, University of Florida
Gaya P. Yadav: Department of Microbiology and Cell Science, University of Florida
Xiaozhi Yang: Department of Medicinal Chemistry, College of Pharmacy, University of Florida
Feng Qin: Department of Physiology and Biophysics, the State University of New York at Buffalo
Chenglong Li: Department of Medicinal Chemistry, College of Pharmacy, University of Florida
Qiu-Xing Jiang: Department of Medicinal Chemistry, College of Pharmacy, University of Florida

DOI: https://doi.org/10.1038/s42003-022-03991-9
Journal volume & issue: Vol. 5, no. 1
pp. 1 – 15

Abstract

Read online

Cryo-EM map-guided drug design and computational comparison of ligand poses yield a PRMT5 inhibitor or derivatives that are MTA-synergic and show enhanced potency.

Published in Communications Biology

ISSN: 2399-3642 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science: Biology (General)
Website: https://www.nature.com/commsbio/

About the journal