@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} } @article {2523, title = {Moringa oleifera Fruit Secondary Metabolites Role in Sarcopenic Obesity via Fat Mass and Obesity-Associated Protein: An In Silico Analysis}, journal = {Pharmacognosy Journal}, volume = {17}, year = {2025}, month = {August 2025}, pages = {450-457}, type = {Original Article}, chapter = {450}, abstract = {

Background: Sarcopenic obesity (SO) refers to the coexistence of sarcopenia and obesity, pathogenic interaction between loss of skeletal muscle and function and fat-mass accumulation. Fat mass and obesityassociated (FTO) protein is one of the proteins that involved in pathophysiology of SO. Moringa oleifera is one of potential drug candidates for degenerative diseases due to its various bioactive metabolites from most parts of this plant. Objective: An in silico study, employing computational methods to simulate molecular interactions through molecular docking, aims to investigate the potential of Moringa oleifera fruit secondary metabolites to interact with FTO protein. Methodology: This study was carried out the molecular docking analysis of Moringa oleifera fruit secondary metabolites that was retrieved from database and have been screened for drug-likeness and toxicity for FTO protein inhibitor candidates. Molecular docking was using Pyrx v0.8, AutoDock 4.2.6 by AutoDockTools 1.5.7, and BIOVIA Discovery studio client 2025 as visualization tools. Results: This study showed 9 bioactive compounds from Moringa oleifera fruit is bioavailable and safe for oral drugs according to Lipinski Rule of 5 (RO5) and Oral Rat Acute Toxicity (LD50). Molecular docking results showed riboflavin is the most potential compound as FTO protein inhibitor as its strongest affinity and interaction in active site compared to FTO protein native ligands 3-methylthymidine (DT). Conclusion: Therefore, Moringa oleifera fruit is potential for SO therapy candidates through regulation of FTO protein activity.

}, keywords = {and riboflavin, FTO protein, Molecular docking, Moringa oleifera fruit, sarcopenic obesity (SO)}, doi = {10.5530/pj.2025.17.57}, author = {Mila Citrawati and Assyafiya Salwa and Yuni Setyaningsih and Cut Fauziah and Tiwuk Susantiningsih} }