Action mechanism and molecular design of indolepyrrodione inhibitors targeting IDO1.

ABSTRACT:

Introduction

The incidence of cancer remains high, representing not only a major health threat to humanity but also a substantial economic burden to society. While conventional therapies include surgery, radiotherapy, and chemotherapy, immunotherapy-particularly immune checkpoint inhibitors (ICIs)-has emerged as a promising approach to enhance anti-tumor immunity. Indoleamine 2,3-dioxygenase 1 (IDO1), a cytoplasmic enzyme that regulates tryptophan catabolism, has become an important target for immunotherapeutic drug development.

Methods

In this study, a series of molecular simulation techniques were employed to investigate the molecular recognition and inhibition mechanisms between representative indolepyrrodione (IPD) inhibitor-specifically PF-06840003-and IDO1. Molecular d

SUBMITTER: Wang X 

PROVIDER: S-EPMC12588868 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature