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All Journal Jurnal Akademika Kimia
Arwansyah Arwansyah
Tadulako University

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Development of Katuk Leaf Dietary Supplement for Stunting Prevention Using an In Silico Method Wafiq Azizah; Arwansyah Arwansyah; Sri M. Sabang; Sitti Nuryanti; Sitti Rahmawati
Jurnal Akademika Kimia Vol. 15 No. 1 (2026)
Publisher : Universitas Tadulako

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22487/j24775185.2026.v15.i1.pp32-38

Abstract

Stunting is a chronic nutritional problem caused by long-term malnutrition, resulting in growth disorders in children. This study aims to predict the mechanism of action of secondary metabolites of katuk leaves as an alternative treatment for growth disorders in children (stunting). This research used network pharmacology to predict compounds from katuk leaves (Sauropus androgynus) based on literature studies. Network pharmacology analysis of katuk leaf (Sauropus androgynus) compounds identified 19 proteins, with HSP90AA1 having the highest degree, 14. This study uses molecular docking to predict interactions between active compounds, such as butyrolactone, phenol, and 2,3,4-trimethylpyrrole, and NAD-dependent protein deacetylase sirtuin-1, Aldo-keto reductase family 1 member C3, Carbonic anhydrase 5A, mitochondrial, Cyclin-dependent-like kinase 5, and Glucocorticoid receptor. The molecular docking results show that the butyrolactone compound has the highest binding affinity for 3 proteins, including NAD-dependent protein deacetylase sirtuin-1, with a binding affinity of -4.7 kcal/mol. The phenol compound has 3 proteins with the highest binding affinity, including Aldo-keto reductase family 1 member C3 at -5.5 kcal/mol. And the compound 2,3,4-trimethylpyrrole has 3 proteins with the highest binding affinity values, including the Glucocorticoid receptor, with a value of -5.8 kJ/mol.
Exploration of Papaya Leaf Bioactive Compounds as Antimalarials Using Network Pharmacology, In Silico, and Learning Resources Giska Ulya; Arwansyah Arwansyah; Sitti Nuryanti; Sitti Rahmawati; Dewi S. Ahmar
Jurnal Akademika Kimia Vol. 15 No. 2 (2026)
Publisher : Universitas Tadulako

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22487/j24775185.2026.v15.i2.pp77-85

Abstract

Papaya leaves (Carica papaya Linn.) are plants with many benefits due to their active compounds, which can inhibit the growth of malaria parasites. Malaria is an infectious disease caused by the Plasmodium sp. parasite. This study aims to determine the potential of active compounds from papaya leaves (Carica papaya Linn) as an alternative treatment for malaria caused by Plasmodium sp. parasites. This research employs network pharmacology to identify potential protein targets for antimalarial drug development. Also, it employs molecular docking methods to predict the interaction of active compounds such as Carpaine, α,α-Trehalose, Diacylglycerol, N-octanoyl-homoserine lactone, and N-lauroyl glycine with receptors such as Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS), Falcipain, Dipeptidyl Aminopeptidase, Glucose Transporter (PfHT), Peroxiredoxin (Prx), Dihydroorotate Dehydrogenase (DHODH), Plasmepsin, Rhomboid Protease, Phosphoethanolamine N-Methyltransferase (PfPMT), Enoyl-Acyl Carrier Protein Reductase (ENR), and Apical Membrane Antigen 1 (AMA1). Based on the network pharmacology results, 94 protein targets were identified. Molecular docking results for 8 compounds revealed that 5 compounds had potential as antimalarial agents. From these five compounds, five protein targets were selected for each compound based on their high binding affinity. Among the five compounds, Carpaine was identified as having the highest binding affinity with the Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) protein, indicating significant potential for drug development, particularly for malaria prevention. This study also contributes as a scientific learning resource in the fields of chemistry, pharmacy, biotechnology, and health sciences. Therefore, a video-based learning medium was developed and validated in this study, yielding a score of 83.63%, indicating that the learning video is highly suitable as a learning resource.