Pharmacological Analysis and Molecular Docking of Laurus nobilis (Bay Leaf) for Lung Cancer with Reference to Sirtuin Drug Targets

Abstract

The aim of this in silico study was to analyze the inhibitory activity of selected phytocompounds from the Bayleaf (Laurus nobilis) in contrast to sirtuin proteins using the various pharmacological tools and molecular docking analysis. Laurus nobilis is a perennial herbs native to the family Lauraceae and it has been cultivated throughout the tropical, European, subtropical, and Asian nations. It has been used for thousands of years for food flavoring, essential oil applications, and in traditional medicine. Mostly, it contains all types of secondary metabolites such as tannins, flavones, flavonoids, alkaloids, eugenol, linalool, methyl chavicol, and anthocyanins. The 3D structures of phytocompounds were retrieved from Pubchem and chemspider databases and subjected to various bioinformatic tools such as SwissADME, Modeller, and Autodock for molecular docking to predict the active binding sites of sirtuin proteins. The comparison of molecular docking score exposed that the targeted phytocompounds showed good binding affinity in contrast to anti-cancer sirtuin proteins. The ADME and Molecular docking properties for drug likeness making them significant agents for biological activities and it is expected to be beneficial and effective for cancer. Bayleaf shows an optimistic results towards the treatment of many diseases. The Bayleaf traditionally has healing properties which has now dragged the attention of science for the betterment of humans. The phytochemical compounds found in and taken in the above research have showed good results with cancer receptors Sirtuin1 and Sirtuin4.