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In Silico and In Vitro Anticoagulant Activity Detection of Quercetin, Rutin, and Troxerutin as New Potential Inhibitors of Factor Xa

Article

Last updated: 01 Jan 2025

Subjects

-

Tags

Pharmaceutical Chemistry

Abstract

Factor Xa is an important target for the development of new anticoagulants. The present study aims to examine the effect of three compounds (Quercetin and its derivatives Rutin and Troxerutin) in comparison with Rivaroxaban on activated Human Clotting factor X (PDB ID: 2w26). Molecular docking was performed using iGemDock v2.1 software to predict their anti-activating factor X activity and Autodock vina software to check the bonds formed. Next, the in vitro biological effects on both PT and aPTT coagulation time were studied. Troxerutin and Rutin showed the best interaction values with 2w26 enzyme, and the binding energy was [(-185.743 kcal/mol) and (-178.034 kcal/mol)], respectively, using iGemDock; While the binding energy of Rivaroxaban was (-149.661 kcal/mol). The results of the in vitro study showed that the studied compounds have an effect in prolonging PT, aPTT compared to both negative and positive control. However, Troxerutin gave the highest prolongation of the evaluated clotting times, consistent with the in silico study the results

DOI

10.21608/ejchem.2022.140123.6144

Keywords

anticoagulants, Factor Xa, Molecular docking, Rivaroxaban, Troxerutin

Authors

First Name

Ghalia

Last Name

sabbagh

MiddleName

M

Affiliation

Department of Pharmaceutical Chemistry and Quality Control, Faculty of Pharmacy, Aleppo University, Syria

Email

ghaliaaa@hotmail.com

City

Aleppo, Syria

Orcid

0000-0003-0773-6451

First Name

Lara

Last Name

Al-Beik

MiddleName

M

Affiliation

Department of Pharmaceutical Chemistry and Quality Control, Faculty of Pharmacy, Aleppo University, Syria.

Email

albeik94@gmail.com

City

Aleppo, Syria

Orcid

-

First Name

Ibrahim

Last Name

Hadid

MiddleName

-

Affiliation

Department of Surgery, Faculty of Medicine, Aleppo University, Syria

Email

e.m.alhaded@alepuniv.edu.sy

City

Aleppo, Syria

Orcid

-

Volume

66

Article Issue

2

Related Issue

39241

Issue Date

2023-02-01

Receive Date

2022-05-22

Publish Date

2023-02-01

Page Start

151

Page End

166

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_241581.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=241581

Order

241,581

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

In Silico and In Vitro Anticoagulant Activity Detection of Quercetin, Rutin, and Troxerutin as New Potential Inhibitors of Factor Xa

Details

Type

Article

Created At

30 Dec 2024