Gemini Alam
Faculty of Pharmacy, Hasanuddin University, Makassar, 90245, South Sulawesi

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Network Pharmacology and Molecular Docking Analysis of Zingiberaceae Bioactive Compounds as Candidate Adjuncts for Hypertension Therapy Asarini Asarini; Gemini Alam; Hermanus Ehe Hurit
Jurnal Jamu Indonesia Vol. 11 No. 4 (2026): Jurnal Jamu Indonesia
Publisher : Tropical Biopharmaca Research Center, IPB University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29244/jji.v11i4.541

Abstract

Hypertension remains a major cardiovascular risk factor, and plant-derived compounds may provide leads for adjunctive therapeutic development. This study evaluated bioactive compounds from six Zingiberaceae species using ADMET screening, network pharmacology, and molecular docking. Thirty-two compounds were screened with DeepPK using predicted human oral bioavailability (≥20%) and selected toxicity endpoints. Six compounds met the screening criteria: zingerone, isoborneol, terpinyl acetate, 1,8-cineole, linalool, and α-terpineol. SwissTargetPrediction, GeneCards, STRING, and Cytoscape analyses identified TNF as the highest-ranked hub by both degree and bottleneck metrics. Three independent native-ligand redocking runs against human TNF-α (PDB ID: 6OP0) yielded RMSD values below 2 Å. Pentoxifylline showed a Rerank Score of -43.846, whereas zingerone had the most favorable score among the selected plant compounds (-36.2546) and was predicted non-toxic for the screened endpoints. These computational findings prioritize zingerone for further experimental validation as a potential antihypertensive adjunct candidate.