Exploring capsaicin as a multi-target agent for osteoporosis through computational insights.

Osteoporosis remains a significant global health challenge, characterized by an imbalance between bone formation and resorption, leading to compromised skeletal integrity and increased fracture risk. Capsaicin, the primary bioactive component in chilli peppers, has garnered attention for its potential role in modulating bone health due to its multifaceted pharmacological properties. This study investigates the molecular mechanisms underlying capsaicin's influence on osteoporosis-related pathways using a computational approach. Bioinformatics analyses identified key hub targets and signaling pathways linked to capsaicin's therapeutic effects. Employing molecular docking and dynamic simulations, we assessed capsaicin's binding interactions with critical protein targets, providing detailed insights into its structural and energetic properties. Notably, capsaicin demonstrated specific interactions with inflammation-related mediators and matrix-degrading enzymes, highlighting its capacity to interfere with processes driving bone loss. The findings suggest that capsaicin exerts dual-action effects by attenuating inflammation and suppressing bone degradation, positioning it as a promising candidate for osteoporosis treatment. This research enhances our understanding of capsaicin's role in maintaining skeletal health and underscores its potential as a therapeutic agent. Furthermore, the study provides a robust framework for future preclinical studies to validate its efficacy and optimize its application in clinical settings for managing osteoporosis. Supplementary Information: The online version contains supplementary material available at 10.1007/s40203-025-00400-x.