1Undergraduate Student, Department of Pharmacology, Saveetha Dental College, SIMATS, Saveetha University, Chennai, Tamilnadu, India
2Associate Professor, Department of Pharmacology, Saveetha Dental College, SIMATS, Saveetha University, Chennai, Tamilnadu, India
3Professor, Department of Pedodontics & Preventive Dentistry, Saveetha Dental College, SIMATS, Saveetha University, Chennai, Tamilnadu, India
4Associate Professor, Department of Microbiology, Saveetha Dental College, SIMATS, Saveetha University, Chennai, Tamilnadu, India
*Corresponding author: Dr. Lakshmi Thangavelu, Associate Professor, Department of Pharmacology, Saveetha Dental College, Saveetha University, Chennai, Tamilnadu, India, Email: Lakshmi@saveetha.com
Online published on 27 March, 2020.
The aim is to study the interaction of Indole alkaloids against 2 oral carcinoma drug target by insilico docking using iGemdock tool.
In this generation, technology has become so advanced that we are able to now achieve what was believed 20 years ago to be impossible. One such advancement is the in silico interactions. It is a virtual screening which enables us to bind two compounds and check the affinity of the binding. This helps us to first screen the activity of the two compounds before money, time and energy is spent in manually performing the activity and then arriving at a failure. We will be able to concentrate on the compounds which show us positive results in the in silico interactions, thus helping us in conserving time, expenditure and energy.
The Oral carcinoma drug targets were identified by literature search and its 3D structure was downloaded from RCSB PDB (Protein Data Bank), which is a crystallographic database for the three-dimensional structural data of large biological molecules.
From the above analysis it shows that ajmalicine shows good interaction with both the receptors also shows best fitness energy.
Indole alkaloids, Oral carcinoma, Drug target, Insilico docking, Medication
