TY - JOUR T1 - Pharmacophore Modelling of Brassicaceae Members as Potent HIF (Hypoxia Inducible Factor) Inhibitors Involved in Cancer Angiogenesis JF - Pharmacognosy Journal Y1 - 2018 A1 - Jeyavel Renukadevi A1 - Ganesan Nandhinidevi A1 - Muthiah Bavanilatha A1 - Hemanath Tharani A1 - Rajarajan Sathiyabama A1 - Subramani Vasumathi KW - Angiogenesis KW - Brassicaceae KW - HIF KW - Molecular docking KW - Pharmacophore KW - Simulation AB -

Angiogenesis is considered as an essential pathological feature of cancer due to its interplay between cancer and other diseases. Natural products found to act as antiangiogenic agents that mediate the angiogenic switch between pro and anti angiogenic factors. Among the different targets, HIF is an important and critical factor that stands as a key mediator between angiogenesis, inflammation and cancer. In our study different phytochemicals of Brassicaceae were analysed for their drug like properties and mapped for pharmacophore development. The developed pharmacophore was virtually screened and further subjected to Lipinski and ADMET filters. The molecular interaction studies of the 10 retrieved compounds were studied by binding with HIF. Among the compounds 1stdrug like molecule HTS 0115 (C15H21BrN2O3) was found to have best docked score and its interaction was further validated using dynamics simulation. The compound found to share the pharmacophoric features with progoitrin a biochemical form of glucosinolate with reported anticancer and anti thyroid activities. Thus the drug like compound HTS 0115 can be further optimised as a putative HIF inhibitor in tumor angiogenesis.

VL - 10 UR - http://fulltxt.org/article/673 IS - 4 ER -