Frontiers in Pharmacology (Jun 2025)
KU124 (9,10,10-trioxo-N-(2-phenylphenyl)thioxanthene-3-carboxamide) as a novel inhibitor of TASK-1
- Ana Dumani,
- Annette Jacob,
- Diego Chavez,
- Abena Amankwaa,
- Ramish Zahed,
- Martha Julemis,
- Hinaben Patel,
- Joana Lopez,
- Steven Almazan,
- Patrick Martins,
- Anthony Contreras,
- Sofiia Korotka,
- Gianna Kiszka,
- Alexander Aleynik,
- Justin Patino,
- David Graham,
- Megan Blaisdell,
- Youssef Elhowary,
- Shuayb Yousuf,
- Chelsea Pelley,
- Jenna Marciano,
- Jessica Best,
- Rhustie Valdizno,
- Nikki Mastrodomenico,
- Jonelle Brown,
- Sarah Schwartz,
- Irene Anin,
- Yara Farrag,
- Rinchu George,
- Gianna Medeiros,
- Sophia Lang,
- Marilyn Dennis,
- Oluwatoni Awoleye,
- Lamont Lee,
- Ericka Salgado,
- Diana Figueroa Chea,
- Thomas Walter Comollo,
- Thomas Walter Comollo
Affiliations
- Ana Dumani
- Kean University, Union, NJ, United States
- Annette Jacob
- Kean University, Union, NJ, United States
- Diego Chavez
- Kean University, Union, NJ, United States
- Abena Amankwaa
- Kean University, Union, NJ, United States
- Ramish Zahed
- Kean University, Union, NJ, United States
- Martha Julemis
- Kean University, Union, NJ, United States
- Hinaben Patel
- Kean University, Union, NJ, United States
- Joana Lopez
- Kean University, Union, NJ, United States
- Steven Almazan
- Kean University, Union, NJ, United States
- Patrick Martins
- Kean University, Union, NJ, United States
- Anthony Contreras
- Kean University, Union, NJ, United States
- Sofiia Korotka
- Kean University, Union, NJ, United States
- Gianna Kiszka
- Kean University, Union, NJ, United States
- Alexander Aleynik
- Kean University, Union, NJ, United States
- Justin Patino
- Kean University, Union, NJ, United States
- David Graham
- Kean University, Union, NJ, United States
- Megan Blaisdell
- Kean University, Union, NJ, United States
- Youssef Elhowary
- Kean University, Union, NJ, United States
- Shuayb Yousuf
- Kean University, Union, NJ, United States
- Chelsea Pelley
- Kean University, Union, NJ, United States
- Jenna Marciano
- Kean University, Union, NJ, United States
- Jessica Best
- Kean University, Union, NJ, United States
- Rhustie Valdizno
- Kean University, Union, NJ, United States
- Nikki Mastrodomenico
- Kean University, Union, NJ, United States
- Jonelle Brown
- Kean University, Union, NJ, United States
- Sarah Schwartz
- Touro University, New York, NY, United States
- Irene Anin
- Kean University, Union, NJ, United States
- Yara Farrag
- Kean University, Union, NJ, United States
- Rinchu George
- Kean University, Union, NJ, United States
- Gianna Medeiros
- Kean University, Union, NJ, United States
- Sophia Lang
- Kean University, Union, NJ, United States
- Marilyn Dennis
- Kean University, Union, NJ, United States
- Oluwatoni Awoleye
- Kean University, Union, NJ, United States
- Lamont Lee
- Kean University, Union, NJ, United States
- Ericka Salgado
- Kean University, Union, NJ, United States
- Diana Figueroa Chea
- Kean University, Union, NJ, United States
- Thomas Walter Comollo
- Kean University, Union, NJ, United States
- Thomas Walter Comollo
- Touro University, New York, NY, United States
- DOI
- https://doi.org/10.3389/fphar.2025.1577171
- Journal volume & issue
-
Vol. 16
Abstract
TASK-1 is a two-pore K+ leak channel. The name, TASK-1, stands for TWIK-related acid-sensitive potassium channel 1, and this channel is encoded by the KCNK3 gene. TASK-1 channels are expressed in humans and modulate cell excitability in excitable cells such as neurons, cardiomyocytes, and vascular smooth muscle cells. TASK-1 inhibition is a mechanism of action for some respiratory stimulants, such as doxapram. TASK-1 channels have also been suggested to play a role in circumventing cell apoptosis in a population of non-small-cell lung cancer cells. We propose that the inner vestibule of the TASK-1 channel, a known binding site of known TASK-1 inhibitors, BAY10000493 and BAY2341237, can be exploited via virtual screening to find other novel TASK-1 inhibitors. Our results show that by targeting the inner vestibule site, we found an active TASK-1 inhibitor. We suspect that this region of interest can be further exploited to discover additional TASK-1 inhibitors. Our initial success lends validity to our virtual screening methodology and parameters. In this study, we identified a novel TASK-1 inhibitor, KU124, which we verified using an in vitro assay.
Keywords
- TWIK-related acid-sensitive potassium channel 1
- virtual screening
- inhibitor
- KU124
- molecular dynamics
- thallium flux