Molecular Docking Studies of Moringa concanensis Nimmo Leaf Phytocompounds for Brain Cancer

Abstract

Phytochemicals are the secondary metabolites of medicinal plants and are considerably used in traditional cancer research. Computational methods involving virtual screening, shape and pharmacophore analysis and molecular docking have been used to select chemicals that target a particular protein or enzyme and to determine potential protein targets for well characterized as well as for novel phytocompounds. Objective of the present study is, in silico approach to identifying the anticancer activity of phytochemicals from Moringa concanensis Nimmo plant against the brain cancer target proteins. The structures of the target receptor binding sites of all four GC-MS compounds and brain cancer protein structure (PDB ID: 1QH4 Crystal structure of brain-type creatine kinase at 1.41 A resolution) were obtained from the RCSB Protein Data Bank. The docking analysis of M. concanensis Nimmo leaf compounds were carried out by means of the Autodock tools and Autodock v4.2 program. The results of docking analysis show the binding affinity of legend molecules (Phytocompounds) towards the brain cancer receptors. Docking studies of the M. concanensis Nimmo leaf contains four phytocompounds which can be considered for developing into a potent brain cancer drug.
Keywords: Brain cancer, Moringa concanensis, phytocompounds, molecular docking

Cite this Article
Balamurugan V, Balakrishnan V. Molecular Docking Studies of Moringa Concanensis Nimmo Leaf Phytocompounds for Brain Cancer. Research & Reviews: A Journal of Life Sciences. 2018; 8(1): 26–34p.