Abstract
MOLECULAR DOCKING AND NETWORK PHARMACOLOGY OF BIOACTIVE FROM AZADIRACHTA INDICA LEAVES WITH TARGETS RELATED TO BREAST CANCER

Manivannan R., Suresh Kumar G.*, Nivetha B., Dharsan R. and Charan K.

ABSTRACT

The neem tree has anti-oxidant, antiseptic, antiviral, antipyretic, anti-inflammatory, cardioprotective, and anti-diabetic properties. Its leaves play an important function in the treatment of breast cancer. We are investigated as active constituents of Nimbin, Gedunin, Nimbolide, Azadirachtin, Mahmoodin, Nimocinol, Meliantriol, Azadirone, Quercetin, Epicatechin, and others in this work. The study's purpose was to create a network pharmacology network of Azadirachta indica leaf constituents and breast cancer. Using the SWISS-ADME programme, analyze the pharmacokinetic characteristics of 22 active components of Azadirachta Indica leaves. The PharmMapper database was used to find the targets of the active compounds in Azadirachta Indica leaves. The potential targets of the disease gene will be added to the GeneCard database. The Venny tool is used to identify the commonly targeted genes of disease and treatments. Using the STRING database, create a protein-protein interaction map. We used Cytoscape to create a visual network to further analyse and comprehend the complicated interactions. BINGO programme is used to examine GO and KEGG enrichment pathways. The PI3K-Akt signalling pathway has been found to play a key regulatory function in tumour therapy. Cell survival, metabolism, angiogenesis, apoptosis, proliferation, and differentiation all rely on the PI3K-Akt signalling pathway. CB- Dock is used to determine the docking molecule's specific binding activity and its targets. The proteins with the greatest interactions revealed that these components have potent anticancer properties. This study provided preliminary confirmation of the pharmacological basis and mechanism of the breast cancer activity of Azadirachta Indica leaves, laying the groundwork for future study.

Keywords: Neem, Network pharmacology, Breast cancer, Molecular Docking, Azadirachta Indica leaves, CB Dock.


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