VIOLAXANTHIN FROM Graptophyllum pictum: POTENT ANTIINFLAMMATORY AND ANTIOXIDANT ACTIVITY REVEALED THROUGH MOLECULAR DOCKING AND BIOAVAILABILITY STUDY
Year: 2025
Type: article
Abstract: Graptophyllum pictum (L.) Griff., commonly known as "daun ungu or daun wungu," is a medicinal plant renowned for its diverse pharmacological properties, contributing significantly to SDG 3: Good Health and Well-being. This study explores the therapeutic potential of its secondary metabolites through molecular docking, bioavailability assessment, and density functional theory (DFT) analysis, specifically targeting anti-inflammatory pathways associated with chronic diseases. Violaxanthin, a key compound, exhibited strong binding affinities with inflammatory and oxidative stress-related proteins such as interleukin-1 alpha (IL-1α) and tumor necrosis factor-alpha (TNF-α), with binding energies reaching -10.2 kcal/mol. Bioavailability studies revealed high absorption rates for violaxanthin (91.43%) despite minor violations of Lipinski’s Rule of Five. Membrane permeability analysis demonstrated favorable energy profiles, highlighting violaxanthin’s potential for effective cellular uptake. Furthermore, DFT calculations indicated excellent electronic stability with a narrow HOMO-LUMO energy gap of -0.0836 eV. These findings support the role of G. pictum metabolites, particularly violaxanthin, as promising candidates for anti-inflammatory and antioxidant drug development, suggesting their potential in addressing treatment gaps in inflammatory diseases. Further in vivo studies are recommended to validate these computational predictions and assess long-term safety. This research contributes to sustainable therapeutic development aligned with the SDG 3 goals.
Source: RASAYAN Journal of Chemistry
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4412385387