Network Pharmacology and Molecular Docking Analysis of Zingiberaceae Bioactive Compounds as Candidate Adjuncts for Hypertension Therapy

Asarini Asarini (Department of Pharmacy, Faculty of Health Sciences, Universitas Esa Unggul, Kebon Jeruk, 11510, West Jakarta)
Gemini Alam (Faculty of Pharmacy, Hasanuddin University, Makassar, 90245, South Sulawesi)
Hermanus Ehe Hurit (Department of Pharmacy, Faculty of Health Sciences, Universitas Esa Unggul, Kebon Jeruk, 11510, West Jakarta)

Indonesian Journal of Jamu
Vol. 11 No. 4 (2026): Jurnal Jamu Indonesia

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.