Home

Network Biology, 2026, 16(2): 31-48
[XML] [EndNote] [RefManager] [BibTex] [ Full PDF (1281K)] [Comment/Review Article]

Article

Uncovering multi-target natural inhibitors for hypertension through network pharmacology and structure-based screening

Neha Singh, Abhay Raj Kori, Pramod Katara
Centre of Bioinformatics, IIDS, University of Allahabad, Prayagraj-21002, UP, India

Received 20 November 2025;Accepted 15 December 2025;Published online 20 December 2025;Published 1 June 2026
IAEES

Abstract
Hypertension is a major global health challenge and a key risk factor for cardiovascular, renal, and cerebrovascular disorders. Despite the availability of several synthetic antihypertensive drugs, their prolonged use often leads to adverse side effects, underscoring the need for safer alternatives. Natural compounds represent a promising source of bioactive molecules with potential therapeutic efficacy. Given the multifactorial nature of hypertension, multi-target therapeutic strategies may offer improved disease management. This study employed an integrative computational approach combining network pharmacology and structure-based analyses to identify potential protein targets and natural compounds relevant to hypertension. A total of 22 protein targets associated with hypertension-related pathways were identified. Virtual screening and pharmacokinetic (ADME) evaluations revealed 16 phytochemicals with strong binding affinities, among which 10 exhibited favorable drug-likeness and multi-target interaction profiles. Overall, the findings highlight several natural compounds as promising antihypertensive candidates with polypharmacological potential and a lower likelihood of adverse effects compared to conventional drugs. Experimental validation of the identified targets and lead compounds is warranted to confirm their therapeutic efficacy.

Keywords hypertension;network pharmacology;druggability;natural lead compounds;molecular docking;polypharmacology.


International Academy of Ecology and Environmental Sciences. E-mail: office@iaees.org
Copyright © 2009-2025 International Academy of Ecology and Environmental Sciences. All rights reserved.
Web administrator: office@iaees.org, website@iaees.org; Last modified: 2025/12/19


Translate page to: