ItemArticle

Evaluating the Potential of Cordycepin as a Therapeutic Agent for Cancer: In-Silico Analysis of EGFR and VEGFR Interactions

Title
Evaluating the Potential of Cordycepin as a Therapeutic Agent for Cancer: In-Silico Analysis of EGFR and VEGFR Interactions
Creator
Kumari, Sonit; Malviya, Alok Kumar
Description
Due to multipotent activity, Cordycepin, a nucleoside isolated from Cordyceps fungi (Cordyceps militaris), has recently attracted considerable interest as a compound for antitumor. Cordycepin is also known as 3-deoxyadenosine, which is known to inhibit tumor growth, but the actual mechanism is not known. The present work aims to evaluate the cordycepin as an anticancer candidate by analyzing its impact on the major oncogene receptors EGFR and VEGFR through an in-silico approach. In the analysis, computational docking was performed with AutoDock Vina 1.5.7, which estimated the binding constants of cordycepin with EGFR and VEGFR and got binding energies of -6.8 kcal/mol and -5.5 kcal/mol, respectively, relative to a reference Leucovorin molecule. In addition, molecular dynamics simulations were also performed for the best complex (Cordycepin-EGFR) to examine the conformational dynamic behavior of the cordycepin-EGFR complex. The functionality and architecture of the cordycepin-EGFR complex were illustrated: their interaction might serve as a base for therapy. Also, ADMET predictions show that cordycepin follows Lipinskis rules, which supports the drug-likeness of cordycepin compounds. Accordingly, the findings presented here will confirm and draw the attention of the scientific community to use the cordycepin as a possible treatment for cancer and its potential use in scientific pharmacology. 2025, Iquz Galaxy Publisher. All rights reserved.
Source
International Research Journal of Multidisciplinary Scope;Volume;6;Issue;2;pp.1103-1111
Date
01-01-2025
Publisher
Iquz Galaxy Publisher
Subject
ADMET; Cordycepin; EGFR; Molecular Docking; Molecular Dynamic Simulation; VEGFR
Coverage
Kumari S., Applied and Industrial Biotechnology Laboratory, Department of Life Sciences, CHRIST (Deemed-to-Be University), Karnataka, Bangalore, India; Malviya A.K., Applied and Industrial Biotechnology Laboratory, Department of Life Sciences, CHRIST (Deemed-to-Be University), Karnataka, Bangalore, India
Rights
All Open Access; Gold Open Access
Relation
ISSN: 2582631X;
Format
online
Language
English
Type
Article

Citation

Kumari, Sonit; Malviya, Alok Kumar, “Evaluating the Potential of Cordycepin as a Therapeutic Agent for Cancer: In-Silico Analysis of EGFR and VEGFR Interactions,” CHRIST (Deemed To Be University) Institutional Repository, accessed June 19, 2026, https://archives.christuniversity.in/items/show/23633.

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