ADME analysis, metabolic prediction, and molecular docking of lipoic acid with SARS-CoV-2 Omicron spike protein

ADME analysis, metabolic prediction, and molecular docking of lipoic acid with SARS-CoV-2 Omicron spike protein

Abstract Lipoic acid (ALA), also known as 1,2-dithiolane-3-pentanoic acid, is a natural antioxidant and a critical component of mitochondrial function, where it participates in several key enzymatic processes. This organosulfur compound is derived from both plant and animal sources and was initially...

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Main Authors: Carlos Alonso Leite dos Santos, Antonia Adeublena de Araújo Monteiro, Adrielle Rodrigues Costa, Luiz Marivando Barros, Abdulaziz Aloufi, Mashal M. Almutairi, Waseem Hassan, Jean Paul Kamdem, Antonia Eliene Duarte, Abid Ali, Mohammad Ibrahim
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
In Sílico
Docking molecular
COVID-19
UDP-glucuronosyltransferase
Glutathione
Quinonation
Online Access:https://doi.org/10.1038/s41598-025-93121-2
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https://doi.org/10.1038/s41598-025-93121-2

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