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IN SILICO STUDY OF ANTIDIABETIC ACTIVITY AND TOXICITY OF TRANS-ANETHOLE, FENCHONE, AND ESTRAGOLE Susanti, Ni Made Pitri; Dewi, Luh Putu Mirah Kusuma; Bhadreswara, I Gede Rheza Wisnu
Journal Pharmaceutical Science and Application Vol 6 No 1 (2024): Journal Pharmaceutical Science and Application
Publisher : Departement of Pharmacy, Faculty of Mathematic and Natural Science, Udayana University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/JPSA.2024.v06.i01.p05

Abstract

Background: An unhealthy lifestyle characterized by consuming foods with a high glycemic index can increase blood sugar levels significantly. Diabetes mellitus therapy using antidiabetic drugs in patients aims to help control blood sugar levels. Objective: This study aims to determine the affinity and interaction models of trans-anethole, fenchone, and estragole as test compounds against the target proteins pancreatic ?-amylase and dipeptidyl peptidase-4 (DPP-4) enzyme, as well as in silico toxicity prediction of the test compounds. Methods: This study used AutoDock 4.2 as a molecular docking method to evaluate the affinity and interaction models of the test compounds against the target proteins pancreatic ?-amylase (PDB ID: 2QV4) and DPP-4 (PDB ID: 3W2T) as a potential antidiabetic agent. In addition, the toxicity of these compounds was predicted using the Toxtree program with Cramer Rules, Benigni/Bossa, Verhaar Sceme, and Kroes TTC parameters. Results: The results showed that the test compounds had binding energies that showed their affinity to the target protein. The trans-anethole did not show any structural features indicating potential toxicity. Fenchone has the class III category for the Cramer Rules parameters, and estragole has a structural alert for genotoxic carcinogenicity based on the Benigni/Bossa Rulebase parameter. Conclusion: Trans-anethole, fenchone, and estragole have been observed to exhibit antidiabetic potential through their interactions with the pancreatic proteins ?-amylase and dipeptidyl peptidase-4 (DPP-4) enzyme, although their effectiveness is not as high as that of the native ligands. Additionally, further toxicity testing is required for the three compounds. Keywords: Trans-anethole, Fenchone, Estragole, Molecular Docking, Antidiabetic
Extraction techniques for phenolic compounds from Zingiber officinale: a review of traditional, microwave-assisted, and ultrasound-assisted methods Febriani, Ni Kadek Dwi; Susanti, Ni Made Pitri; Dewi, Luh Putu Mirah Kusuma
Acta Pharmaciae Indonesia Vol 13 No 1 (2025): Acta Pharmaciae Indonesia: Acta Pharm Indo
Publisher : Pharmacy Department, Faculty of Health Sciences, Jenderal Soedirman University, Purwokerto, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.api.2025.13.1.17252

Abstract

Background: The rhizome of Zingiber officinale (ginger) is widely recognized for its pharmacological properties, particularly its antioxidant activity, which is largely attributed to phenolic compounds such as gingerol, shogaol, paradol, and zingerone. Efficient extraction of these compounds requires suitable techniques to maximize yield while maintaining compound stability. Objective: This review aims to evaluate extraction techniques for phenolic compounds from ginger rhizomes, comparing traditional and modern approaches, and to identify methods that produce the highest total phenolic content (TPC). Methods: A literature review was conducted on original research articles published between 2015 and 2025 that reported phenolic extraction from Z. officinale using maceration, soxhlet extraction, reflux, microwave-assisted extraction (MAE), or ultrasound-assisted extraction (UAE). Articles were retrieved from Google Scholar and ScienceDirect databases and assessed against defined inclusion and exclusion criteria. Results: Six eligible studies were included, revealing substantial methodological heterogeneity that complicates direct method comparisons. UAE with 50% ethanol produced the highest TPC (155.19 ± 2.81 mg GAE/g dry weight), followed by Soxhlet extraction (31.10 ± 0.28 mg GAE/g) and MAE (27.89 ± 1.99 mg GAE/g). Reflux and maceration yielded comparatively lower TPC values, with results influenced by solvent type, concentration, temperature, and extraction time. Conclusion: UAE with 50% ethanol is the most effective technique for extracting phenolic compounds from ginger, offering both high yield and compound stability. MAE, while producing lower yields, remains advantageous for its shorter extraction duration.