Year : 2024 | Volume : 02 | Issue : 01 | Page : 29 49

Gouri Anil,

Abstract

Objective: In this study, network pharmacology was applied to determine the therapeutic effects of the bioactive compounds of Boerhavia diffusa. Network pharmacology can unearth the underlying mechanisms between drugs and the disease targets and aids in the discovery of novel medications for complex conditions such as cancer. Methods: To predict the molecular mechanisms of action of Boerhavia diffusa in the treatment of was screened using the GeneCards database. The Venn diagram was used to identify the intersecting targets of Boerhavia diffusa and Alzheimer’s disease. The obtained target information was entered into the STRING database to construct a protein-protein interaction network. Database for Annotation, Visualization, and Integrated Discovery (DAVID) database was used to perform the GO and KEGG Pathway Enrichment analysis. Cytoscape Software was used to construct the networks, and the key targets were identified. The binding affinity of the bioactive compounds of Boerhavia diffusa with the target proteins was analyzed. PyRx, an online tool was used to perform molecular docking. It was performed using protein structures from the Protein Data Bank (PDB) Database and PubChem. BIOVIA Discovery Studio software was used to analyze the protein structure. Result: Upon performing molecular docking, the proteins AKT1, epidermal growth factor receptor (EGFR), and STAT3 have the best binding affinities with the bioactive compounds of Boerhavia diffusa. Conclusion: According to the results, the phytocompounds have potential therapeutic effects which provide insight into the theoretical basis for the investigation of the pharmacological mechanism of Boerhavia diffusa. Alzheimer’s disease using network pharmacology, the phytocompounds were obtained from the IMPPAT database. Target information for the phytocompounds and Alzheimer’s disease

Keywords: Pancreatic cancer, Boerhavia diffusa, AKT1, EGFR, STAT3, Network Pharmacology, molecular docking

[This article belongs to International Journal of Molecular Biotechnological Research ]

Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment 1

How to cite this article:
Gouri Anil. Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment. International Journal of Molecular Biotechnological Research. 2024; 02(01):29-49.

How to cite this URL:
Gouri Anil. Integrating Network Pharmacology and Molecular Docking to Investigate Boerhavia diffusa for Pancreatic Cancer Treatment. International Journal of Molecular Biotechnological Research. 2024; 02(01):29-49. Available from: https://journals.stmjournals.com/ijmbr/article=2024/view=162182

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Regular Issue Subscription Original Research

International Journal of Molecular Biotechnological Research

Volume	02
Issue	01
Received	04/04/2024
Accepted	16/04/2024
Published	08/08/2024
Publication Time	126 Days

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