Advanced Journal of Microbiology Research

Advanced Journal of Microbiology Research ISSN 2241-9837 Vol. 14 (5), pp. 001-009, May, 2020. © International Scholars Journals

Full Length Research Paper

Nanotechnology approach on anticancer and antiviral properties of Consolida Sp.: The study of dipole moment and nuclear magnetic resonance (NMR)

M. Monajjemi¹*, R. Hasani², R. Rasoolzadeh² and F. Mollaamin³

¹Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran, Iran.

²Science and Research Branch, Islamic Azad University, Tehran, Iran.

³Department of Chemistry, Qom Branch, Islamic Azad University, Qom, Iran.

Accepted 09 September, 2019

Abstract

14-O-demethyledelboxine is one of the most important alkaloids in Consolida species. It is toxic and has many effects in body. In this article, we used dipole moment and nuclear magnetic resonance (NMR) to describe this molecule properties. Nanoparameters and chemical shift calculations, geometry optimization and energies have been performed with ab initio method at HF/Sto-3G, B3Lyp/6-31G and B3Lyp/6-31G* levels with magnetic properties of the gauge-including atomic orbital method. According to this study this molecule has polarity, therefore it can highly react with microtubules. So it is recommended that more study in this molecule and the groups can be bound to evaluate these characters so it could be useful. Dipole moment calculations approve ab initio methods according to these results.

Key words: 14-o-demethyldelboxine, nuclear magnetic resonance (NMR), B3lyp, isotropy, anisotropy.