International Journal on Science and Technology

E-ISSN: 2229-7677   •   Impact Factor: 9.88

A Widely Indexed Open Access Peer Reviewed Multidisciplinary Bi-monthly Scholarly International Journal

Call for Paper Volume 17 Issue 2 April-June 2026 Submit your research before last 3 days of June to publish your research paper in the issue of April-June.
Submit Research Paper Join as a Reviewer

Plagiarism is checked by the leading plagiarism checker TurnItIn

Call for Paper

Volume 17 Issue 2
April-June 2026

Submit your research paper

Indexing Partners
Academia Advanced Sciences Index Bielefeld Academic Search Engine CiteSeer DRJI Google Scholar Independent Search Engine & Directory Network ISI (International Scientific Indexing) Issuu Mendeley Research Networks
RefSeek ResearcherId - Thomson Reuters ResearchGate Scirus Scribd Semantic Scholar UTeM - Universiti Teknikal Malaysia Melaka Wiki for Call for Papers WorldCat Zenodo

Integrated In Silico Docking and ADMET Investigation of Quercetin Targeting Angiotensin-Converting Enzyme

Author(s) Bhavana sham Jamabhale, Syeda Afifa
Country India
Abstract Hypertension is a major cardiovascular disorder mainly regulated by the Renin–Angiotensin–Aldosterone System. Angiotensin-Converting Enzyme converts angiotensin I into angiotensin II, which increases blood pressure. Captopril is a commonly used ACE inhibitor, but its long-term use may cause side effects. Therefore, natural phytoconstituents such as Quercetin are being studied as safer alternatives.
The present study aimed to evaluate the ACE inhibitory activity of quercetin using molecular docking and compare it with captopril. Docking studies were performed using PyRx and interaction analysis was carried out using Discovery Studio Visualizer. Results showed that quercetin exhibited good binding affinity with ACE and formed stable hydrogen bond interactions with active site amino acid residues, similar to captopril.
The study suggests that quercetin may act as a potential natural ACE inhibitor and could be useful in the management of hypertension. Further in vitro and in vivo studies are required to confirm its therapeutic efficacy and safety.
The docking analysis demonstrated that quercetin exhibited significant binding affinity toward the active site of ACE, showing stable interactions with important catalytic amino acid residues comparable to those of captopril. Quercetin formed multiple hydrogen bonds and hydrophobic interactions within the ACE active pocket, suggesting strong inhibitory potential. The obtained docking score indicated favorable ligand–receptor interaction and supported the possibility of quercetin acting as a natural ACE inhibitor. Comparative analysis revealed that quercetin may possess promising antihypertensive activity with fewer side effects due to its natural origin and antioxidant properties.
Keywords Molecular docking, Hypertension, Angiotensin Converting Enzyme, ACE inhibitor, Captopril, Quercetin, PyRx, Autodock Vina, Phytoconstituents, Drug Discovery.
Field Medical / Pharmacy
Published In Volume 17, Issue 2, April-June 2026
Published On 2026-05-25
DOI https://doi.org/10.71097/IJSAT.v17.i2.11170
View / Download PDF File

Share this


CrossRef

CrossRef DOI is assigned to each research paper published in our journal.

IJSAT DOI prefix is
10.71097/IJSAT

Downloads
Research Paper Format Copyright Permission Form and Undertaking Form Cover Page Vol 17 Isu 2Cover Page Vol 17 Isu 1Cover Page Vol 16 Isu 4

All research papers published on this website are licensed under Creative Commons Attribution-ShareAlike 4.0 International License, and all rights belong to their respective authors/researchers.

CC-BY-SA Open Access

About IJSAT
Fees & Payment
Current Issue
Publication Archive 		Submit Research Paper
Track Submission Status
Publication Guidelines
Publication Ethics
Peer Review & Plagiarism 		Join as a Reviewer
Editors & Reviewers
Reviewer Referral Program
Get Reviewer Membership Certi. 		Website/Journal Policies
Usage Policy
Content Policies
Privacy Policy
Contact Us Message on WhatsApp +91-9687-182-185 editor@ijsat.org