Molecular Docking, Molecular Dynamics Simulation, and Pharmacophore-Based Virtual Screening Unveil Natural Compounds with TIM-3 Inhibitory Activity

Molecular Docking, Molecular Dynamics Simulation, and Pharmacophore-Based Virtual Screening Unveil Natural Compounds with TIM-3 Inhibitory Activity

Introduction: The aberrant expression of T cell immunoglobulin mucin-3 (TIM-3) has been linked to adaptive immunotherapy resistance and poor prognosis. Targeting TIM-3 has gained popularity due to positive outcomes in preclinical settings. Materials and method: This research explored the Supernatura...

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Main Authors: Abdulrahim A. Alzain, Mohammed A. Almogaddam, Rayan Yousif, Mohammed Hamed Alqarni, Ahmed I. Foudah, Wadah Osman, Khaled M. Elamin, Hagar M. Mohamed, Ehssan Moglad, Ahmed Ashour, Reham M. Samra, Gamal A. Mohamed, Sabrin R.M. Ibrahim
Format: Article
Language:English
Published: Wolters Kluwer Medknow Publications 2025-06-01
Series:Journal of Pharmacy and Bioallied Sciences
Subjects:
cancer
drug discovery
health and well-being
molecular docking
molecular dynamics
natural products
tim-3
Online Access:https://journals.lww.com/10.4103/jpbs.jpbs_402_25
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