@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} } @article {2344, title = {Molecular Insights into Spirulina platensis Compounds Targeting TNFa and P21 in Delaying Cellular Senescence Mechanisms: An In Silico Approach}, journal = {Pharmacognosy Journal}, volume = {16}, year = {2024}, month = {August 2024}, pages = {809-815}, type = {Original Article}, chapter = {809}, abstract = {

Spirulina platensis with bioactive compounds such as Phycocyanin, β-carotene, Genistein and α-glucan, have been shown to have anti-inflammatory properties. Our present study investigation utilizes an in silico methodology to examine the molecular interactions between Spirulina platensis chemicals compound with TNFa and p21. Utilizing computational techniques molecular docking, our goal is to clarify the possible pathways by which Spirulina platensis chemicals could affect these important regulators and postpone cellular senescence. Our research may shed important light on the creation of Spirulina platensis-based therapies for ageing and age-related illnesses. Our results imply that Spirulina platensis may contribute to overall cellular health and the mitigation of cellular senescence. Phycocyanin has the most negative ΔG value is -15.0 kcal/mol. Genistein has the lowest Ki value, namely 7.299 μM. The ΔG and Ki values of Genistein were lower than Quercetin. The potential chemical interactions between substances generated from Spirulina platensis and senescence pathways, including those involving TNFa and p21, are highly intriguing for the development of innovative therapeutic approaches targeted at ameliorating cellular senescence dysfunction associated with aging.

}, keywords = {in silico, p21 expression, Spirulina platensis, TNFa-induced cellular senescence}, doi = {10.5530/pj.2024.16.134}, author = {Tiwuk Susantiningsih and Fadilah Fadilah and Ani Retno Prijanti and Novi Silvia Hardiany} } @article {1432, title = {Graptophyllum pictum (L.) Griff. (Syn: Justicia picta Linn.) and its Effectiveness: A Well-Known Indonesian Plant}, journal = {Pharmacognosy Journal}, volume = {13}, year = {2021}, month = {May 2021}, pages = {835-838}, type = {Review Article}, chapter = {835}, abstract = {

Graptophyllum pictum (L.) Griff., a shrubby stove plant, has been used traditionally to treat various diseases. This review summarizes the up-to-date data about its phytochemistry and pharmacological properties and provides a perspective and direction for future research. The phytochemical analysis of G. pictum revealed the presence of flavonoids, steroids, glycoside, tannins, saponin, chlorophyll, nontoxic alkaloid, and anthocyanin. Meanwhile, the pharmacological analysis revealed that this plant possessed various activities such as antimicrobial, immunomodulatory, antioxidant, anti-inflammation, anti-analgetic, woundhealing, anti-hemorrhoid, anti-diabetic, and estrogenic effects. However, most of its pharmacological activities were based on the crude extracts and the bioactive compounds responsible for the bioactivities have not been well identified. A further detailed investigation in phytochemistry to identify the bioactive compounds and to investigate the mechanism action of its bioactivities is required. Moreover, a toxicology study is also needed to develop a standardized formulation of G. pictum preparation and to fulfill the requirements of modern phytomedicine.

}, keywords = {Activities, G pictum, Indonesia, Pharmacological}, doi = {10.5530/pj.2021.13.106}, author = {Feda Makkiyah and Eldiza Puji Rahmi and Rika Revina and Tiwuk Susantiningsih and Yuni Setyaningsih} }