Molecular Screening, Docking and DFT Study of Phytochemicals from Sesbania grandiflora against HER 2 Protein of Oral Cancer

Abstract

The most frequent type of head and neck cancer is oral cancer (mouth cancer). It usually affects adults over the age of 60. Oral cancer affects your lips, the tip of your tongue, and the roof and floor of your mouth. It also affects the oropharynx, which includes the last section of your tongue and the roof of your mouth, as well as your tonsils and the sides and back of your throat. It is getting a global threat. Excess consumption of Tobacco and alcohol are the key factors of Oral cancer. Sesbania grandiflora is a medicinal plant found in most of the regions of Asia including India. It is full of medicinal properties. Here, in this investigation 33 reported phyto compounds are taken from Sesbania grandiflora and undergone various in silico study. Here, the highly expressed HER 2 protein in oral cancer is targeted. The compounds which pass in computation investigation were docked against the HER 2 protein of Oral cancer. The Sativan was found to be the highest binding affinity scoring molecule among phyto selected from this plant and expected to stop the over expression of HER 2 protein and future drug candidate .