Extrapolations of Periwinkle Secondary Metabolites as Multitarget Inhibitor of Breast Cancer Proteins

Year : 2023 | Volume : 01 | Issue : 01 | Page : 36-49
By

    Aparna Prasad

  1. Student, Department of Biotechnology, Mumbai University, Pillai College of Arts Commerce and Science, Maharashtra, India

Abstract

Objective: Breast cancer is considered one of the most common and dangerous forms of cancer. It is a significant public health issue on a global scale. The study estimates that 10.0 million people will die from cancer this year, and 19.3 million people will develop the disease overall (BC). In this computation approach nowadays emphasises for new drug discovery, the target protein EGFR (5UGB), ER (2QGT), and PI3KA (4OYS) were chosen to perform molecular docking against the derivatives of periwinkle Catharanthus phytochemical and FDA approved drugs. Its pharmacological characteristics and its therapeutic analysis were investigated.
Methods: The study was based on a computational approach using different phytocompounds for evaluation of their inhibitory potential against the target proteins EGFR, ER, and PI3KA. The protein molecular docking was conducted systematically using IMPAAT, PubChem, PDB, Open Bable, BIOVIA Discovery Studio Visualizer, PDB sum generate, PyRx and ADMETlab 2.0.
Result: The docking result revealed that the ligands selected have the best binding affinity with all the three target proteins.
Conclusion: The ligands could potentially be used to treat breast cancer in the future approaches for studying the urge ligands in vitro and in vivo analysis in order to create novel breast cancer inhibitors.

Keywords: Breast cancer, Catharanthus, periwinkle, EGFR, ER, PI3KA, vindolininol, lochnericine, lochnerinine, molecular docking, ADMET.

[This article belongs to International Journal of Biochemistry and Biomolecule Research(ijbbr)]

How to cite this article: Aparna Prasad Extrapolations of Periwinkle Secondary Metabolites as Multitarget Inhibitor of Breast Cancer Proteins ijbbr 2023; 01:36-49
How to cite this URL: Aparna Prasad Extrapolations of Periwinkle Secondary Metabolites as Multitarget Inhibitor of Breast Cancer Proteins ijbbr 2023 {cited 2023 May 05};01:36-49. Available from: https://journals.stmjournals.com/ijbbr/article=2023/view=128271

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Regular Issue Subscription Original Research
Volume 01
Issue 01
Received April 13, 2023
Accepted April 17, 2023
Published May 5, 2023