Designing of Nanocomposite model structure using Gallic acid and Ellagic acid with four different metals

Authors

  • Debraj Hazra Department of Microbiology and Biotechnology, Sister Nivedita University DG 1/ 2, Action Area–I, Kolkata–700156, West Bengal, India
  • Doyel Chatterjee Department of Microbiology and Biotechnology, Sister Nivedita University DG 1/ 2, Action Area–I, Kolkata–700156, West Bengal, India
  • Rajat Pal Department of Microbiology and Biotechnology, Sister Nivedita University DG 1/ 2, Action Area–I, Kolkata–700156, West Bengal, India

Abstract

Bioflavonoids are now being an attraction of research for a couple of decades due to its immense application in therapeutics. To apply these flavonoids as a potential therapeutic drug in medical field, a vehicle is required to increase their retention in physiological conditions. Nanoparticles have come up with several unique properties to act as medium for drug delivery system. Hence, the formulation of nanoparticle – drug composite and their study has become mandatory today. Here we selected Gallic acid and its dimer Ellagic acid as drug molecules for having several applications in therapeutics that can be interacted with a metal nanoparticle. Twelve metals have been considered for study of interaction with mentioned drug molecules to construct nanoparticle–drug nanocomposite model structure by computational approach. All structures were subjected to energy minimization for reaching most stable structure. By considering all structures, cadmium (Cd) exhibited the most stable nanocomposite structure with Gallic acid and Ellagic acid as the composites contained lowest energy levels. It was also found that meta positioned –OH of Gallic acid is preferably the best suitable attachement site for metal atom and the same for Ellagic acid was found to be at corresponding 2 and 7 positioned –OH groups

Keywords: Flavonoids, Nanoparticles, Gallic acid, Ellagic acid and Avogadro software.

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Published

2020-09-30

How to Cite

Debraj Hazra, Doyel Chatterjee, & Rajat Pal. (2020). Designing of Nanocomposite model structure using Gallic acid and Ellagic acid with four different metals. International Journal of Life Sciences, 8(3), 556–562. Retrieved from https://ijlsci.in/ls/index.php/home/article/view/104

Issue

Vol. 8 No. 3 (2020): International Journal of Life Sciences

Section

Research Articles

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Copyright (c) 2020 Debraj Hazra, Doyel Chatterjee, Rajat Pal

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This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

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