Pharmacophore-based virtual screening and in silico investigations of small molecule library for discovery of human hepatic ketohexokinase inhibitors for the treatment of fructose metabolic disorders

These findings highlight compound <b>2</b> as a potent KHK-C inhibitor with predicted pharmacokinetics and toxicity profiles supporting its potential for treating fructose-driven metabolic disorders, warranting further validation.

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Publication Details

Journal
Frontiers in Pharmacology
Published
2025-04-07
DOI
https://doi.org/10.3389/fphar.2025.1531512
Citations
3
Primary Topic
Diet, Metabolism, and Disease
Type
article
Field-Weighted Citation Impact
3.88
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article

Pharmacophore-based virtual screening and in silico investigations of small molecule library for discovery of human hepatic ketohexokinase inhibitors for the treatment of fructose metabolic disorders

Afnan Alsultan, Musaed Rayzah, Fares Rayzah, Tilal Elsaman et al.
3 citations
Frontiers in Pharmacology
Diet, Metabolism, and Disease
3.88
article

Pharmacophore-based virtual screening and in silico investigations of small molecule library for discovery of human hepatic ketohexokinase inhibitors for the treatment of fructose metabolic disorders

Afnan Alsultan, Musaed Rayzah, Fares Rayzah, Tilal Elsaman, Nasser A. N. Alzerwi, Jeremy Mills, Heba Bassiony Ghanem, Bandar Idrees, Badr Alzahrani, Abozer Y. Elderdery, Magdi Awadalla Mohamed, Abdullah Alsrhani
article en
3 citations

Abstract

These findings highlight compound <b>2</b> as a potent KHK-C inhibitor with predicted pharmacokinetics and toxicity profiles supporting its potential for treating fructose-driven metabolic disorders, warranting further validation.

Frontiers in PharmacologyVol. 16
Riyadh Armed Forces Hospital (SA), Majmaah University (SA), Jouf University (SA), King Saud Medical City (SA), Portsmouth College (GB), Asir Central Hospital (SA), University of Portsmouth (GB)
Openalex Percentile: Top 7%
Diet, Metabolism, and Disease
3.88
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