Formulation of nano-composite model structures using apigenin with several metals using in silico approach
Arghya Nath, Debraj Hazra, Rajat Pal
The research on Metal nanocomposite formulations is very enthusiastic and attractive point of interest for recent researchers and scientific communities. Due to its noticeable drug vehicle properties, it has been used vividly in medical research now a day. Flavonoids have capacity to fight against different and huge ranges of diseases. Different metals have the ability to from nano-composites which is useful in core research in drug deliveries. To understand the attachment of drug on nanoparticle, it is very much important to study the interaction between drug and the nanoparticles. On this point of view, here we are reporting the interaction between 12 metal atoms (Gold, Silver, Copper, Iron, Zinc, Nickel, Platinum, Palladium, Rhodium, Ruthenium, Antimony, and Cadmium) with one flavonoid (Apigenin). Throughout the demonstration, we used Avogadro software for formulating all the metal nanocomposite model structures with energy minimisation. There are three -OH groups in apigenin chemical structure where one metal atom was attached at a time. From this study we can conclude that zinc metal can formulate most suitable nanocomposite structure with apigenin having the lowest energy level of 202.854 KJ/mol.
Arghya Nath, Debraj Hazra, Rajat Pal. Formulation of nano-composite model structures using apigenin with several metals using in silico approach. International Journal of Biotechnology and Microbiology, Volume 3, Issue 2, 2021, Pages 42-45