T. Panneerselvam
Kalasalingam University, India
Title: Formulation of Pyrimidine Nanocomposites: Synthetic Optimization, Docking Evaluation as Anticancer Agent
Biography
Biography: T. Panneerselvam
Abstract
In this study, the optimized 4-(4-hydroxybenzyl)-2-amino-6-hydroxypyrimidine-5-carboxamide derivative was formulated as nanocomposite to evaluate for their anticancer activity. The response surface methodology (RSM) was performed with utilization of Box-Behnken statistical design (BBSD) to optimize the experimental conditions for identification of significant synthetic methodology. To explore the stability of the derivative was done by density functional theory (DFT). Graph theoretical analysis was introduced to identify the drug target p38α MAP Kinases and then insilico modeling was performed to provide straight forward information for further structural optimization. The experimental results under optimal experimental conditions obtained 74.55-76% yield of 4-(4-hydroxybenzyl)-2-amino-6-hydroxypyrimidine-5-carboxamide, 127oC melting point and Rf value 0.59 were well matched with the predicted results and this was gaining 95% of confidence level and suitability of RSM. The spectral data were reliable with the assigned structures of synthetic yields. The formulated nanocomposite was exhibites a good anticancer activity against used cancer cell line MCF7. Amusingly the observed docking scores and invitro anticancer activity was proving the compound significance and potential as a potent p38α inhibitor.