Journal :   Research Journal of Pharmacy and Technology

Volume No. :   11

Issue No. :  9

Year :  2018

Pages :   3811-3815

ISSN Print :  0974-3618

ISSN Online :  0974-360X


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Molecular Docking Studies of Plant Compounds to Identify Efficient Inhibitors for Ovarian Cancer

Address:   Anwesha Barua, Keerthi Kesavan, Sivaraman Jayanthi*
Computational Drug Design Lab, Department of Biotechnology, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore - 632014, Tamil Nadu, India
*Corresponding Author
DOI No: 10.5958/0974-360X.2018.00698.4

At present, ovarian cancer is at number seven in the list of the leading causes of death in women and also ranks as the sixth most common type of cancer in the world. Researchers have studied this cancer type and detected high-risk genes and the inhibition of these target proteins will help us stop the progression of cancer. Through in silico studies it is easier to screen ligands and analyze their interaction with these target proteins. Our study’s objective is to compare and identify the most suitable compound that effectively binds to our target protein and decreases its tumor causing actions and consequently, checks tumor growth. Here, Interleukin-6 is taken as our target protein. For centuries, plants have been used for the treatment of innumerable diseases and in recent years, there has been a growing emphasis on the identification and use of plant derived compounds that can act as potent anticancer agents. Hence in our study, more than 100 natural, plant-derived compounds were taken and screened for their inhibitory properties. The compounds that were screened for docking were first subjected to high throughput virtual screening and by in silico docking; the best inhibitor for the target protein Interleukin-6 was selected. According to our results, the ligand 1, 3, 5-trihydroxy-4-methoxyxanthone showed the lowest binding energy. The analysis of its interaction with the target protein may help us develop newer drugs for treatment against ovarian cancer.
Ovarian cancer, Natural compounds, Interleukin-6, Virtual screening, 1, 3, 5-trihydroxy-4-methoxyxanthone.
Anwesha Barua, Keerthi Kesavan, Sivaraman Jayanthi. Molecular Docking Studies of Plant Compounds to Identify Efficient Inhibitors for Ovarian Cancer. Research J. Pharm. and Tech 2018; 11(9): 3811-3815.
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