Cancer cell invasion and metastasis are multistep processes influenced by the over expression of cell-secreted proteolytic enzymes such as Matrix metalloproteinases(MMPs).Phosphatidylinositide 3-kinase/Nuclear Factor of kappaB signaling pathways have been known to be involved in regulating MMP-9 expression. Synergistic targeting of these pathways using NF-κB and PI3K inhibitors may have great potential for cancer treatment. This paper focuses on identifying phytocompounds having anticancer potential to effectively inhibit PI3K and NF-κB. Thirty five phytocompounds with anticancer properties were utilized for the study. After screening out using Lipinski rule of five and ADMET, five compounds namely allixin, capsaicin, eugenol, niazimicin and piperine were docked with PI3K and NF-κB proteins. Niazimicin exhibited interaction for PI3K and NF-κB with residues CYS 633, ASP 632, GLN 392 and LYS 145 respectively. Niazimicin, a phytocompound of Moringa Oleifera which is an underexploited vegetable crop with medicinal properties showed maximum interaction with the targets.
Medicinal plants and plant derived molecules are widely
used in traditional cultures all over the world and they are becoming
increasingly popular among biomedical researchers and pharmaceutical
companies as a natural alternative to synthetic medicine. Antidiabetic and Anticancer
Medicinal Plants Database (DIACAN) is unique in providing a comprehensive
platform for antidiabetic/anticancer medicinal plants, taxonomical hierarchy,
phytoconstituents isolated from the plants, and medicinal properties obtained
through literature mining.
Availability: http://www.kaubic.in/diacan
Ginger (Zingiber officinale Roscoe, Zingiberacae) is a medicinal plant that has been widely used in Ayurveda, the traditional medicine of India and all over the world for a wide array of ailments. Gingerol, a secondary metabolite isolated from the rhizomes of this plant has been shown to have significant pharmacological properties. Despite the pharmacological importance of ginger, relatively little is known regarding its gene expression. In silico analysis of ginger will facilitate the unravelling of significant information.