In Silico and Pharmacokinetic Activity of Bioactive Components from Annona muricata Leaves Against Breast Cancer

R Hari Priya; P Thirumalai Vasan

doi:10.17485/IJST/v17i13.1949

Article

In Silico and Pharmacokinetic Activity of Bioactive Components from Annona muricata Leaves Against Breast Cancer

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Indian Journal of Science and Technology

DOI: 10.17485/IJST/v17i13.1949

Year: 2024, Volume: 17, Issue: 13, Pages: 1283-1291

Original Article

In Silico and Pharmacokinetic Activity of Bioactive Components from Annona muricata Leaves Against Breast Cancer

R Hari Priya¹, P Thirumalai Vasan^2*

¹Research Scholar, Department of Biotechnology, Srimad Andavan Arts and Science College,
(Autonomous), Affiliated to Bharathidasan University, Thiruvanaikovil, Tiruchirappalli, TamilNadu, India
²Assistant Professor, Department of Food Science and Nutrition, The American College (Autonomous), Madurai, Tamil Nadu, India

*Corresponding Author
Email: [email protected]

Received Date:15 November 2023, Accepted Date:22 November 2023, Published Date:22 March 2024

This work is licensed under a Creative Commons Attribution 4.0 International License.

Abstract

Objectives: To identify the potential inhibitors isolated from Annona muricata leaves against the epidermal growth factor of tyrosine kinase receptor, a crucial factor involved in the development of breast cancer. Methods: In this study, the ethanolic extract of Annona muricata leaves was studied by GC-MS analysis. The functional compounds derived from the GC-MS spectrum were docked with a target molecule, the Epidermal Growth Factor of Tyrosine Kinase Receptor [PDB Id: 1M17], for breast cancer using Auto dock vina. The Bioactivities of compounds against the key role enzymes like GPCR ligand, nuclear, and enzyme inhibitor in Breast Cancer was analyzed using Molinspiration. The pharmacokinetic and pharmacodynamic attributes of the chemical compounds were studied by the Swiss ADME tool. Findings: The outcomes from Molecular docking proved that the bioactive compounds such as 9,19-Cyclolanost-24-en-3-ol, (3.beta.), Octadec - 9 - enoic acid, Cycloeucalenol, and Phytol could act as potentially active inhibitors against the Epidermal Growth Factor of Tyrosine Kinase Receptor in Breast Cancer. Novelty: The inhibitory effect of the bioactive components from the ethanolic extract of Annona muricata leaves against the Epidermal Growth Factor of Tyrosine Kinase Receptor through the in silico approach has not been explored. This research work will be the first to attempt the in silico mode to determine the potential inhibitors of the Epidermal Growth Factor of Tyrosine Kinase Receptor and successfully identified four bioactive compounds that down-regulate the expression of EGFR and control the proliferation of breast cancer cells.

Keywords: Drug Development, Breast Cancer, Inhibitor, Pharmacokinetics, Pharmacodynamics, Auto Docking, Bioactive Compounds

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Copyright

© 2024 Priya & Vasan. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Published By Indian Society for Education and Environment (iSee)