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176771

Molecular Modeling Studies on Biochanin-A as a Potential Dual Inhibitor for VEGFR-2 and Cyclin D1-CDK-4 Complex

Article

Last updated: 22 Jan 2023

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Abstract

Biochanin-A is a known phytoestrogen that is mainly found in red clover. It has several biological activities including anticancer, anti-inflammatory and antioxidant effects. Preclinical studies showed that Biochanin-A has anticancer properties in different cancer models. This effect was found to happen through a diversity of mechanisms inducing cell cycle arrest, apoptosis and antiangiogenic effects. Moreover, despite being a promising nature-derived anticancer agent, there is a paucity of information regarding specific target validation studies for Biochanin-A. In this study we first predicted the physicochemical properties of Biochanin-A using two different online tools (SwissADME and pkCSM), and then we performed an in silico molecular docking studies for Biochanin-A as a potential dual inhibitor for Cyclin-D1-cyclin dependent kinase (CDK) 4 complex and vascular endothelial growth factor receptor (VEGFR-2) which are key molecular targets for cancer therapy. The results suggest that Biochanin-A interacts with both Cyclin D1-CDK4 complex and VEGFR-2 with a docking affinity that is comparable to their standard inhibitors. These results open the door for further follow up investigations.

DOI

10.21608/aps.2021.59204.1050

Keywords

Biochanin-A, Cytotoxicity, docking, Cyclin-D1-CDK4, VEGFR-2

Authors

First Name

Mohamed

Last Name

Ramadan

MiddleName

Mahmoud

Affiliation

Department of Pharmacology and Toxicology, Faculty of Pharmacy, Ain Shams University, Cairo, Egypt

Email

mohamed.mahmoud10@pharma.asu.edu.eg

City

Cairo

Orcid

0000-0003-3074-4572

First Name

Marwa

Last Name

Ali

MiddleName

A.

Affiliation

Department of Pharmacology and Toxicology, Faculty of pharmacy, Ain Shams University, Cairo, Egypt

Email

marwa.adel.abdelmonem@pharma.asu.edu.eg

City

Cairi

Orcid

-

First Name

Amgad

Last Name

Albohy

MiddleName

-

Affiliation

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt (BUE), Cairo, Egypt

Email

albohy@ualberta.ca

City

Cairo

Orcid

0000-0003-3021-8767

First Name

Suher

Last Name

Zada

MiddleName

Kamal

Affiliation

Biology Department, School of Sciences and Engineering, American University in Cairo (AUC), Cairo, Egypt

Email

suzada@aucegypt.edu

City

Cairo

Orcid

-

First Name

Mai

Last Name

Tolba

MiddleName

Fathy

Affiliation

Department of Pharmacology and Toxicology, Faculty of Pharmacy, Ain Shams University, Cairo, Egypt

Email

tolba.mf@pharma.asu.edu.eg

City

Cairo

Orcid

-

First Name

Dalal

Last Name

Abu-ELElla

MiddleName

-

Affiliation

Department of Pharmaceutical Chemistry, Faculty of Pharmacy,Ain Shams University, Cairo 11566, Egypt

Email

dalal@pharma.asu.edu.eg

City

Cairo

Orcid

-

Volume

5

Article Issue

1

Related Issue

25600

Issue Date

2021-06-01

Receive Date

2021-02-03

Publish Date

2021-06-01

Page Start

16

Page End

32

Print ISSN

2356-8380

Online ISSN

2356-8399

Article File

APS_Volume 5_Issue 1_Pages 16-32.pdf

PDF . 876.2kB

Link

https://aps.journals.ekb.eg/article_176771.html

Detail API

https://aps.journals.ekb.eg/service?article_code=176771

Order

2

Type

Original Article

Type Code

657

Publication Type

Journal

Publication Title

Archives of Pharmaceutical Sciences Ain Shams University

Publication Link

https://aps.journals.ekb.eg/

MainTitle

-

Details

Type

Article

Created At

22 Jan 2023