Identification of a novel and high affinity MIF inhibitor via structure-based pharmacophore modelling, molecular docking, molecular dynamics simulations, and biological evaluation

Macrophage migration inhibitory factor (MIF) plays a crucial role in disrupting immune homeostasis and was overexpressed in immune cells. The inhibitors of MIF inhibit the release of inflammatory factors to treat sepsis. Herein, a series of compounds (termed as Hits 1–6) were discovered based on pha...

Full description

Saved in:
Bibliographic Details
Main Authors: Shang Zhu, Shudan Yang, Yao Chen, Miao-Miao Niu, Jun Wang, Jindong Li, Xuehua Pu
Format: Article
Language:English
Published: Taylor & Francis Group 2025-12-01
Series:Journal of Enzyme Inhibition and Medicinal Chemistry
Subjects:
Online Access:https://www.tandfonline.com/doi/10.1080/14756366.2025.2501378
Tags: Add Tag
No Tags, Be the first to tag this record!