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All Journal Jurnal Buana Farma
Aninda Nasuha
Universitas Buana Perjuangan Karawang
Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Medicine & Pharmacology

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ANALISIS NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING TANAMAN Tinospora crispa SEBAGAI ANTIDIABETES Ai Nurrohimah; Devi Destianawati; Fitri Nurafifah Afandi; Julia Khoerunnisa; Sharjah Nabila; Himyatul Hidayah; Aninda Nasuha
Jurnal Buana Farma Vol 6 No 2 (2026): Jurnal Buana Farma
Publisher : Fakultas Farmasi Universitas Buana Perjuangan Karawang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36805/jbf.v6i2.1729

Abstract

Diabetes mellitus is a chronic metabolic disorder characterized by hyperglycemia resulting from impaired insulin secretion, insulin resistance, or both. The increasing prevalence of diabetes and limitations of current therapies have encouraged the development of plant-based antidiabetic agents. One promising medicinal plant is Tinospora crispa, which contains various secondary metabolites with reported antihyperglycemic activity. This study aimed to investigate the antidiabetic potential of Tinospora crispa bioactive compounds through network pharmacology and molecular docking approaches. The study was conducted in silico using PubChem, SwissADME, pkCSM, SuperPred, GeneCards, and STRING databases, as well as Cytoscape, PyRx, AutoDockTools, and Discovery Studio Visualizer software. A total of 51 secondary metabolites were identified, of which 33 compounds had available SMILES data and 21 compounds met drug-likeness and favorable pharmacokinetic criteria. Target prediction identified 495 protein targets, while disease target screening yielded 615 diabetes mellitus-related genes. Intersection analysis revealed 16 overlapping genes potentially involved in the antidiabetic mechanism of Tinospora crispa. Protein–protein interaction network and topological analyses identified mTOR as the primary hub gene, showing the highest degree centrality, betweenness centrality, and closeness centrality values. Molecular docking demonstrated that β-stigmasterol showed the strongest binding affinity toward the mTOR receptor, with a binding energy of −8.29 kcal/mol. These findings suggest that Tinospora crispa has potential as an antidiabetic agent by modulating glucose metabolism, energy homeostasis, and insulin signaling pathways, providing a scientific basis for further molecular dynamics simulations and in vitro and in vivo evaluations.
ANALISIS MEKANISME ANTIDIABETES SENYAWA JINTEN HITAM (Nigella sativa) MELALUI NETWORK PHARMACOLOGY APPROACH Feyka Azzahra Herawan; Fatwah Normalita; Kamelia Azizahra; Maulidina Afrillia; Siti Nurpadilah Ramadani; Himyatul Hidayah; Aninda Nasuha
Jurnal Buana Farma Vol 6 No 2 (2026): Jurnal Buana Farma
Publisher : Fakultas Farmasi Universitas Buana Perjuangan Karawang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36805/jbf.v6i2.1731

Abstract

Diabetes mellitus is a metabolic disorder characterized by hyperglycemia resulting from impaired insulin secretion, insulin action, or a combination of both. The increasing prevalence of diabetes has encouraged the development of plant-based therapeutic agents capable of exerting multitarget effects. One promising medicinal plant is Nigella sativa, which contains various bioactive compounds with potential antidiabetic activity. This study aimed to analyze the antidiabetic mechanisms of secondary metabolites from Nigella sativa using a network pharmacology approach. The study was conducted in silico using several databases and bioinformatics tools, including KNApSAcK, PubChem, pkCSM, ADMETlab 3.0, SuperPred, GeneCards, Venny, STRING, and Cytoscape. The identification process revealed 47 secondary metabolites with available SMILES data. ADME and toxicity analyses showed that 34 compounds met the safety criteria, demonstrated good oral bioavailability, and were predicted to be non-mutagenic and non-hepatotoxic. Target prediction identified 178 protein targets and 598 glucose metabolism-related genes, with 25 overlapping genes identified through intersection analysis. Protein-protein interaction (PPI) network analysis indicated that PPARG was the primary hub gene, exhibiting the highest degree centrality, betweenness centrality, and closeness centrality values. Additionally, STAT3, FASN, HIF1A, SLC2A1, and GSK3B showed high connectivity within the network. The findings suggest that the bioactive compounds of Nigella sativa may exert multitarget antidiabetic effects through the regulation of insulin sensitivity, glucose metabolism, energy homeostasis, and lipid metabolism.
ANALISIS NETWORK PHARMACOLOGY DAN MOLECULAR DOCKING Moringa oleifera PADA PENYAKIT RESISTENSI INSULIN Alya Safitri; Rizka Nurul Ilma; Sintia Meylani; Muhammad Fadia Ikhsan; Himyatul Hidayah; Aninda Nasuha
Jurnal Buana Farma Vol 6 No 2 (2026): Jurnal Buana Farma
Publisher : Fakultas Farmasi Universitas Buana Perjuangan Karawang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36805/jbf.v6i2.1733

Abstract

Insulin resistance is a condition characterized by decreased cellular sensitivity to insulin, leading to impaired glucose metabolism and contributing to the development of type 2 diabetes mellitus. The development of plant-based therapies has become an increasingly attractive alternative, one of which is Moringa oleifera, known to contain various bioactive compounds with potential antidiabetic properties. This study aimed to analyze the potential of Moringa oleifera against insulin resistance using network pharmacology and molecular docking approaches. The study was conducted through active compound identification, protein target prediction, protein–protein interaction (PPI) analysis, hub gene identification, and molecular docking simulations using the mTOR receptor (PDB ID: 4DRI). The results revealed 11 overlapping genes between compound-related targets and insulin resistance-associated targets, with mTOR identified as the primary hub gene based on network topology analysis. Docking validation showed an RMSD value of 0.525 Å, indicating that the docking protocol used was valid. Molecular docking results demonstrated that lupeol exhibited the best binding affinity among the tested compounds with a binding energy value of −8.46 kcal/mol and showed interactions with amino acid residues within the receptor binding site. These findings suggest that the active compounds of Moringa oleifera have the potential to modulate protein targets involved in insulin resistance and may serve as promising candidates for insulin resistance therapy through an insilico approach.
Co-Authors Ai Nurrohimah Alya Safitri Devi Destianawati Fatwah Normalita Feyka Azzahra Herawan Fitri Nurafifah Afandi Himyatul Hidayah Julia Khoerunnisa Kamelia Azizahra Maulidina Afrillia Muhammad Fadia Ikhsan Rizka Nurul Ilma Sharjah Nabila Sintia Meylani Siti Nurpadilah Ramadani