@article {2528, title = {In-Silico Study of Bioactive Compounds from Moringa oleifera Fruit as Anti Premature Senescence Agents in Cardiac Cells: A Study on the p53 Protein}, journal = {Pharmacognosy Journal}, volume = {17}, year = {2025}, month = {August 2025}, pages = {497-505}, type = {Original Article}, chapter = {497}, abstract = {

Background: Cellular senescence, characterized by irreversible cell cycle arrest, contributes significantly to the pathogenesis of cardiovascular diseases through mechanisms involving oxidative stress and activation of p53-mediated signaling. Moringa oleifera, widely recognized for its antioxidant properties, has demonstrated anti-aging effects; however, the specific bioactive compounds within its fruit and their mechanisms of action remain poorly understood. Objective: This study aimed to investigate the potential of M. oleifera fruit-derived compounds as anti-premature senescence agents targeting the p53 protein using in-silico molecular docking approaches. Methods: Bioactive compounds from M. oleifera fruit were screened via molecular docking against the human p53 protein, with Nutlin-3 used as a positive control. Binding affinities, hydrogen bonding, and hydrophobic interactions were analyzed to determine ligand{\textendash} receptor interactions. Results: Niacin and oxalic acid exhibited stronger binding affinities ({\textendash}5.90 and {\textendash}6.00 kcal/mol, respectively) compared to Nutlin-3 ({\textendash}5.64 kcal/mol). Niacin formed stable hydrogen bonds and hydrophobic interactions with key residues within the p53 active site, suggesting a capacity to modulate p53 activity. Oxalic acid demonstrated the highest binding affinity but lacked hydrogen bonding, indicating potential instability despite strong interaction. These findings support previous studies highlighting M. oleifera{\textquoteright}s role in ROS suppression and p53 modulation, pointing to its therapeutic relevance in mitigating cellular aging. Conclusion: Niacin and oxalic acid from M. oleifera exhibit promising binding characteristics as modulators of the p53 pathway. Their anti-senescence potential warrants further validation through molecular dynamics simulations and biological assays. This study supports the development of natural compound-based therapeutics for age-related cardiac degeneration.

}, keywords = {Antioxidant, cellular senescence, in silico, Molecular docking, Moringa oleifera, p53 protein}, doi = {10.5530/pj.2025.17.62}, author = {Tiwuk Susantiningsih and Ichwan Baihaki and Maria Selvester Thadeaus and Yuni Setyaningsih and Mila Citrawati} }