Network pharmacology and molecular docking simulation uncovered the potential of hexacyclinic acid as anti-osteoarthritis by regulating IL-17 signaling pathway
Year: 2025
Type: article
Abstract: This study employed network pharmacology to investigate the pharmacological potential of hexacyclinic acid and its mechanism of action. Disease prediction analysis identified osteoarthritis as the most promising target, with the IL-17 signaling pathway emerging as the most significant KEGG pathway. TNF-α and IL-1β were identified as key molecular targets within this pathway. Molecular docking simulations corroborated these findings, revealing favorable binding energies between hexacyclinic acid and TNF-α (-8.62 kcal/mol) and IL-1β (-8.76 kcal/mol). These results suggest that hexacyclinic acid may exert its anti-osteoarthritis effects by modulating the IL-17 signaling pathway, particularly through interactions with TNF-α and IL-1β. The strong binding affinities observed indicate a potentially high efficacy of hexacyclinic acid in targeting these inflammatory mediators. This research provides valuable insights into the potential therapeutic application of hexacyclinic acid in osteoarthritis treatment, highlighting its promise as a novel anti-inflammatory agent.
Source: Acta Chimica Asiana
Author: Arif Setiawansyah
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4410929792