Drug Designing and Toxicity Prediction Studies on Atherosclerosis Gene (CETP) using Insilico Software and Tools

International Journal of Novel Trends in Pharmaceutical Sciences,2016,6,3,63-68.
Published:June 2016
Type:Research Article
Authors:
Author(s) affiliations:

Deepika. K* and T. Radha

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

Abstract:

More than 15,800,000 Americans have been affected by coronary artery disease. About 8 million of them have had heart attacks. Around 500,000 people will die of coronary artery disease this year. More than a million will have a heart attack. One-third of all deaths in Americans older than 35 are due to coronary artery disease. After age 40, about 50% of men and one-third of women can expect to eventually have coronary artery disease. In this research work, we identify the mutated gene related to arthrosclerosis. The gene coded protein was modeled and validated using insilico protocols. We identify the potential chemical inhibitors for the target protein, namely, CETP. The drug designing and toxicity studies were performed using advanced cheminformatics databases and tools. Our results clearly elucidate that the modeled protein and the deigned drug have a high binding score value. The designed drug also shows that there are no toxic atoms present. This drug molecule would act as a potential therapeutic agent for arthrosclerosis and other cardiovascular disorders.

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3D structure validation Rapper server- Ramachandran plot analysis