Identification of De Novo Drug Candidate for Skin Cancer using Cheminformatics Method

International Journal of Novel Trends in Pharmaceutical Sciences,2016,6,4,69-73.
Published:August 2016
Type:Research Article
Authors:
Author(s) affiliations:

Farheen Nafeesa1*, S.P. Indumathi1 and Balaji. M2

1P.G and Research Department of Zoology, Ethiraj College for Women, Chennai-600 008, Tamilnadu, India.

2Managing Director, Akshaya Computational Medicine Pvt, Ltd., Chennai-5, Tamilnadu, India.

Abstract:

Since 2010, skin cancers result in 80,000 deaths a year, 49,000 of which are due to melanoma and 31,000 of which are due to non-melanoma skin cancers. In this paper, we focus on MCR1 protein which acts as a potential target for skin cancer. We identify the sequence and model the protein and finally, we deliver the novel drug candidate using advanced cheminformatics protocols. In our results, we explain the drug protein inhibition with the help of molecular visualization tools. We chose plant growth hormone and anti-oxidant chemicals, combined the molecules and introduced them to the modelled protein. Thus the molecular docking results show high affinity of MCR1 protein. Our research would be useful for Clinical oncologists and Pharmacoinformaticians. The de novo drug would act as a potential therapeutic agent for various types of skin cancers.

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In-page image(s): 

3D structure of De Novo drug