Rony Abdi Syahputra
Universitas Sumatera Utara, Medan, Indonesia

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Metabolomics-Driven LC-HRMS Identification and Multi-Target Computational Pharmacology of Shzygium polyanthum Bioactives for Mechanism-Based Precision Management of Type 2 Diabetes Mellitus Said Haikal Alfajar; Urip Harahap; Aminah Dalimunthe; Nur Aira Juwita; Rony Abdi Syahputra
International Journal of Science and Society Vol 8 No 2 (2026): International Journal of Science and Society (IJSOC)
Publisher : GoAcademica Research & Publishing

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Abstract

Type 2 Diabetes Mellitus (T2DM) continues to be a major cause of mortality and metabolic complications in developing nations, highlighting the urgent need for safer and more accessible therapies. Herbal bioactives from Syzygium polyanthum (SYPOL) have gained attention due to their traditional use in managing blood glucose levels. Nevertheless, the molecular mechanisms underlying their antidiabetic effects remain poorly understood. This study employed an integrative in silico approach to evaluate the interactions between SYPOL-derived compounds and ten key protein targets involved in T2DM pathogenesis, including HK2, AKT1, PYGL, INSR, PYGM, IGF1R, PPARG, SLC2A1, MAPK3, and GCK. Ethanolic leaf extracts of SYPOL were analyzed using Liquid Chromatography–High Resolution Mass Spectrometry (LC-HRMS) for phytochemical profiling. Detected compounds were screened for structural availability, toxicity, ADME properties, and compliance with Lipinski's Rule of Five prior to molecular docking. From 9.834 detected phytochemical features, 31 compounds met the selection criteria and were docked against the ten diabetes-related targets. The simulations revealed stable interactions within active site regions, primarily driven by hydrogen bonding and favorable binding energies, suggesting potential modulation of glucose metabolism and insulin signaling pathways. ADME profiling indicated acceptable pharmacokinetic properties, with most compounds satisfying Lipinski's parameters. Toxicity prediction showed a 54.83% probability of nephrotoxicity, emphasizing the importance of safety validation in future studies SYPOL contains multi-target bioactive compounds with potential to regulate glucose homeostasis. This computational analysis provides a mechanistic basis for subsequent experimental research and supports the development of SYPOL-based phytotherapeutics for T2DM management.
Antihyperlipidemic Activity of Kratom Leaves (Mitragyna speciosa) In Vivo and In Silico Sintia Karina Putri; Yuandani; Pipit Pitriani; Said Haikal Alfajar; Rony Abdi Syahputra
International Journal of Science and Society Vol 8 No 2 (2026): International Journal of Science and Society (IJSOC)
Publisher : GoAcademica Research & Publishing

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.54783/ijsoc.v8i2.1675

Abstract

Obesity and hyperlipidemia are metabolic problems that can trigger various comorbid diseases. Kratom leaves (Mitragyna speciosa) are one of the herbal-based medicines containing alkaloid compounds that have the potential to improve lipid profiles. This study aims to analyze the antihyperlipidemic activity of kratom leaves in vivo and in silico. Extraction of kratom leaves was carried out by maceration using 96% ethanol (1:10 w/v) for 3 days, then concentrated using a rotary evaporator. Compound identification was performed using LC-MS/MS. The in vivo study was conducted on rats (n=6 per group) for 14 days, including a negative control, positive control, and three treatment groups with doses of kratom leaf extract of 100, 300, and 500 mg/kg BW. The parameters assessed included body weight, LDL cholesterol, HDL cholesterol, triglycerides, and total cholesterol, as well as molecular docking using PyRx. The results showed that kratom leaf extract at doses of 100, 300, and 500 mg/kg BW exhibited significant antihyperlipidemic activity compared to the negative control (p<0.05), characterized by reductions in triglyceride, total cholesterol, and LDL levels, as well as an increase in HDL and a decrease in body weight. The 500 mg/kg BW dose showed the best pharmacological effect compared to the 100 mg/kg BW and 300 mg/kg BW doses (p<0.05). The docking results confirmed strong binding affinities between kratom leaf alkaloids and the therapeutic target HMG-CoA. Thus, kratom leaf alkaloids have the potential to be developed as antihyperlipidemic agents through inhibition of the HMG-CoA reductase enzyme.