Identification of novel TMEM16A blockers through integrated virtual screening, molecular dynamics, and experimental studies

Identification of novel TMEM16A blockers through integrated virtual screening, molecular dynamics, and experimental studies

Abstract The calcium-activated chloride channel TMEM16A is a promising drug target for treating hypertension, secretory diarrheas, and various cancers, including head and neck cancer. Despite its potential, no FDA-approved drugs have provided the structural basis for directly inhibiting TMEM16A. Thi...

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Main Authors: Mattanun Sangkhawasi, Wichuda Pitaktrakul, Rungtiwa Khumjiang, Yasuteru Shigeta, Chatchai Muanprasat, Kowit Hengphasatporn, Thanyada Rungrotmongkol
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Subjects:
TMEM16A
Pore-blocker inhibitor
Virtual screening
Molecular dynamics
Cytotoxicity
And electrophysiological assays
Online Access:https://doi.org/10.1038/s41598-025-99751-w
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https://doi.org/10.1038/s41598-025-99751-w

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