Knowledge and Structure-Based Drug Design of 15-PGDH Inhibitors.

Leela S Dodda¹, Sebastien Campos², David Ciccone¹, Samantha Carreiro¹, Silvana Leit¹, Debra Brennan¹, Jacqueto Zephyr¹, Suzanne Jacques-O'Hagan¹, Sheetal Kumar¹, Fu-Shan Kuo¹, Md Munan Shaik¹, Daniel J Price¹, Christine Loh¹, Scott D Edmondson¹, Peter Tummino¹, Neelu Kaila¹

¹Nimbus Therapeutics, Boston, Massachusetts 02210, United States.

²Pharmaron, Hoddesdon EN119FH, U.K.

PubMed DOI

Abstract

PGE2 plays important roles in immune cell function and in potentiating tissue regeneration. 15-PGDH is the key enzyme involved in inactivation of PGE2 and its inhibition therefore provides valuable therapeutic opportunity. We have solved the first cocrystal structure of 15-PGDH bound to small molecule inhibitors, enabling us to efficiently investigate and understand the key functionalities require…

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