Action mechanism and molecular design of indolepyrrodione inhibitors targeting IDO1
These findings suggest a potential inhibitory mechanism for PF-06840003 and offer valuable structural insights for the rational design of potent IDO1 inhibitors. It should be noted that the inhibitory activity of the designed lead compounds is based solely on computational predictions; experimental validation through <i>in vitro</i> and <i>in vivo</i> studies is still required to confirm their actual inhibitory effects and pharmacokinetic properties.
Authors
- Xinmin Wang (ORCID: https://orcid.org/0000-0003-1675-327X)
- Wentong Yu
- Ting Luo (ORCID: https://orcid.org/0000-0003-1793-729X)
- Zhigang Zhang (ORCID: https://orcid.org/0000-0003-2127-1822)
- Yuting Song (ORCID: https://orcid.org/0009-0002-2592-7868)
- Tiantian Yang (ORCID: https://orcid.org/0009-0000-0499-336X)
- Yan Cheng (ORCID: https://orcid.org/0000-0002-5558-8468)
- Kaixuan Hu (ORCID: https://orcid.org/0000-0003-1144-4232)
- Jing Jing (ORCID: https://orcid.org/0000-0001-5846-2337)
- Siyao Li (ORCID: https://orcid.org/0000-0002-3944-6179)
- Jianping Hu (ORCID: https://orcid.org/0009-0003-2608-3166)
- Xin Sun (ORCID: https://orcid.org/0000-0001-7035-593X)
Institutions
- Sichuan University (CN)
- Chengdu University (CN)
Publication Details
- Journal
- Frontiers in Molecular Biosciences
- Published
- 2025-10-23
- DOI
- https://doi.org/10.3389/fmolb.2025.1661700
- Primary Topic
- Cancer, Hypoxia, and Metabolism
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Key Research and Development Program of China