Insilico Studies on K-Ras Gene for Colorectal Cancer: Mutation Studies, Homology Modeling and Molecular Docking Approaches

Posted: 20 Feb 2020

See all articles by Sowmya Hariharakrishnan

Sowmya Hariharakrishnan

Vels Institute of Science, Technology and Advanced Studies (VISTAS)

Meenambiga Setti Sudharsan

Vels Institute of Science, Technology and Advanced Studies (VISTAS)

Date Written: January 31, 2020

Abstract

In India, according to the reports of Indian Council for Medical Research, every year more than 1300 individuals die due to cancer. Human tumors develop due to mutations in Ras protein which plays a key role in signaling pathways. The mutant K-Ras gene is one of the major oncogenes for colorectal cancer. The dominant point mutation in K-Ras protein is the point mutation at the 12th codon that has aspartate in the place of glycine, which alters its function leading to colorectal cancer. This study aimed at developing natural inhibitors for mutated K-Ras gene through in silico approaches. Here in this study, we introduced a point based mutation on K-Ras protein followed by homology modeling of the mutated protein. About 30 phytocompounds were filtered by drug-likeness studies including Lipinski’s rule of five and ADMET properties. The selected natural compounds were studied for their inhibitions towards the mutated K-Ras protein using molecular docking approach. The flavanoid Eridictoyl was anticipitated to be the best inhibitor with the highest binding affintiy of -7.68 KCal/mol followed by Galangin and Apigenin. Our results indicate that the selected flavonoid compounds could be potential inhibitors of mutant K-Ras and this paves the way to develop leads for drugs to treat colorectal cancer.

Keywords: Colorectal cancer, K-Ras gene, Point mutation, homology modeling, molecular docking

Suggested Citation

Hariharakrishnan, Sowmya and Sudharsan, Meenambiga Setti, Insilico Studies on K-Ras Gene for Colorectal Cancer: Mutation Studies, Homology Modeling and Molecular Docking Approaches (January 31, 2020). Proceedings of International Conference on Drug Discovery (ICDD) 2020, Available at SSRN: https://ssrn.com/abstract=3529165

Sowmya Hariharakrishnan (Contact Author)

Vels Institute of Science, Technology and Advanced Studies (VISTAS) ( email )

Velan Nagar P.V. Vaithiyalingam Road
Pallavaram
Chennai, TN 600 117
India

Meenambiga Setti Sudharsan

Vels Institute of Science, Technology and Advanced Studies (VISTAS) ( email )

Velan Nagar P.V. Vaithiyalingam Road
Pallavaram
Chennai, TN 600 117
India

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