Abstract

Explore the interaction mode and binding orientation of lead compound with target proteins by molecular docking studies and understand the structural insights and functional properties of potent target protein by autodock tools. Aim of this study to analyze the interaction of Solanine with cancer causing enzymes. Cyclin-dependent kinase 6, Cytochrome P450, Topoisomerase I, Topo IIa ATPase, anti-apoptotic protein Bcl-2 and Vegfr2 are critical molecules that control cell cycle progression from one phase to the other. However, mutational changes in these molecules lead to the purturbed cell cycle leading to uncontrolled cellular proliferation or cell death. Docking pose is almost close to the substrates for most of the receptors. Remarkably 1t8i - Topoisomerase I and 1zxm - TopoIIa ATPase docking was completely blocking the binding of the substrate with high affinity by the action of Solanine. The molecular docking was applied to explore the binding mechanism and to correlate its docking score with the activity of plant derived compounds.

Keywords: Solanine; Auotdock; Topoisomerase; Molecular Docking; Cell Cycle

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Citation

Citation: Rajalakshmi A and Jayachitra A. “In silico Evaluation of Solanine Compound as New Potential Inhibitors of Cancer Causing Enzymes". Acta Scientific Pharmaceutical Sciences 5.11 (2020): 20-23.

Copyright

Copyright: © 2020 Rajalakshmi A and Jayachitra A. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.