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Research Journal of Pharmacy and Technology
Year : 2018, Volume : 11, Issue : 8
First page : ( 3415) Last page : ( 3418)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2018.00629.7

Claudin-7 Inhibitors for Colon Cancer: A Computational Approach

Shankari B., Rambabu M., Jayanthi S.*

Computational Drug Design Lab, School of Bio Sciences and Technology, VIT University, Vellore-632014, Tamil Nadu, India

*Corresponding Author E-mail: jayanthi.s@vit.ac.in

Online published on 31 October, 2018.

Abstract

Colon cancer, also referred as colorectal cancer(CRC), is common type of cancer. An uncontrolled growth of cells in large intestine. One of the protein involved in colon cancer is Claudin. The initiation of colon cancer is due to dysregulation of the protein Claudin-7. Therefore, we use bioinformatic tools to find natural compounds for colon cancer. The finding of compound begins with the virtual screening on the basis of ADME properties. The protein is used as a target and a set of natural compounds are the ligands. The interactions between the ligand and protein is studied with the help of 3-D structure. The active site of protein interacts with ligand based on drug design. The virtual screening is done for all the compounds in the dataset. To determine the top lead compound, we used, least binding energy and high number of hydrogen bonds formed as selection criteria. The lead compounds are reported by docking. The computational approach narrows the range of potential compound to profound compound. The study aims to inhibit the mechanism of colon cancer and can be further substantiated with the experimental studies.

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Keywords

Claudin-7 inhibitor, colon cancer/colorectal cancer, NPACT compounds, Molecular docking.

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