Determination of extraction end Time by factorial analysis synthesis Computational interaction and in Vitro anticancer activity Of nanoparticle phyto constituents Complex

Abstract

Advancement in the area of natural products and nanotechnology is essential to remain and become modest with the other synthetic technologies. To update these fields, novel techniques such as factorial analysis for extraction end time determination and design of computational simulation protocol to pinpoint nanoparticle-shaping phytoconstituents were performed in this research work. The optimization and factorial analysis results showed that the 70% (595 watts) microwave irradiation at a temperature of 70 °C gave the highest yield, 0.367 g of T. procumbens and the extraction completed at 35 minutes. Increasing of these above parameters degrade the phytoconstituents of extract. In addition, the factors absorbance, oxidation-reduction potential, total dispersive solids (TDS), and water volume displacement (WVD) level aid to determine the exact extraction end time except for pH due to ionic natures of phytoconstituents. Further, silver nanoparticle was synthesized using the above extract fractions and characterized. The best and stable silver nanoparticle forming methanolic fraction was subjected to GC-MS to find the phytoconstituents present in the fraction. The resulted 18 phytoconstituents were used as input in a realistic computational model to identify the phytoconstituents responsible for shaping silver nanoparticles. Adsorption locator blends binding energy, and DFT analysis revealed that among the 18 phytoconstituents, the flavonoid skeleton of baicalin formed stable it metallic interaction, strong repulsive shield with silver ion and lowest binding energy of -0.6307 kcal/mol. Finally, MTT assay and fluorescent-based assay results proved that the silver ion synergizes the anticancer activity (IC50 of 3.5± 0.05 gg/mL) compared with a normal methanolic fraction (IC50 of 55.051 0.05 gg/mL) of T.procumbens. This innovative way of factorial studies in natural products and computation studies of nano metal interactions advances the area and shed the light to researcher. newline