J Biomed 2018; 3:60-63. doi:10.7150/jbm.25815 This volume
Targeting breast cancer cell signaling molecules PI3K and Akt by phytochemicals Cannabidiol, Nimbin and Acetogenin: An in silico approach
Department of Biotechnology, Maharishi Markandeshwar University, Mullana, Ambala, India
Mittal R, Chaudhry N, Mukherjee TK. Targeting breast cancer cell signaling molecules PI3K and Akt by phytochemicals Cannabidiol, Nimbin and Acetogenin: An in silico approach. J Biomed 2018; 3:60-63. doi:10.7150/jbm.25815. Available from /v03p0060.htm
The phosphatidylinositol 3-kinase (PI3K)/serine-theronine protein kinase Akt is a vital signaling cascade involved in cell survival, progression and thus causes various types of cancers. Various kinase inhibitors targeting PI3K/Akt have been extensively studied but promising results could not be obtained because of toxicity and resistance issues. The aim of present study was to analyze the interaction of plant derived natural moieties such as nimbin, cannabidiol and acetogenin to PI3K and Akt signaling molecules. Results showed that nimbin, cannabidiol and acetogenin significantly binds to both signaling molecules. They revealed almost equivalent potency of binding to PI3K at their respective active site but nimbin exhibited lower free energy of binding with Akt. A combinational drug therapy comprises of these natural metabolites that can target these specific protein kinases efficiently can prove as a boon for breast and other cancers treatment.
Keywords: Akt, Acetogenin, Cannabidiol, PI3K, Nimbin