Towards a predicted anti-aging molecular targets of asiaticoside based on bioinformatics analysis

Abstract

Objectives: Human skin, the largest organ, serves as a critical barrier against environmental damage and microbial invasion. The skin aging process leads to collagen degradation, reduced elasticity, and wrinkle formation, influenced by intrinsic and extrinsic factors. This process has driven significant interest in the anti-aging market, which is expected to grow to $44.5 billion by 2030. Asiaticoside (AS) has exhibited anti-aging properties by promoting collagen synthesis and fibroblast proliferation. Methods: This study employed bioinformatics analyses to identify molecular targets and pathways modulated by AS in skin aging. The gene databases were extracted from PubMed (www.ncbi.nlm.nih.gov), OMIM (www.omim.org), and GeneCards (www.genecards.org). Protein-protein interaction (PPI) networks and CytoHubba algorithms (MCC, DMNC, MNC) identified ten key genes implicated in the skin aging cascade. To validate the results, molecular docking was conducted to assess AS's binding affinity to these targets. Results: This study identified IL-1β, JUN, TGF-β1, CCL-2, MMP-9, STAT-3, MAPK-3, CXCL-8, MMP-2, and KDR as potentially targeted by AS in the skin aging cascade. Molecular docking revealed a strong binding affinity of AS with MMP-9 (-8.16 kcal/mol), indicating its role in inhibiting ECM degradation. Conclusion: This study highlights AS's potential as a promising anti-aging agent by targeting key proteins and pathways, paving the way for further therapeutic exploration. This prediction of molecular pathways should be further verified by in vitro and in vivo experiments. Keywords: Asiaticoside, bioinformatics, molecular docking, pathway, skin aging