ISSN : 0970 - 020X, ONLINE ISSN : 2231-5039
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Abstract

Nano drug delivery Study of Anticancer Properties on Jackfruit using QM/MM Methods

Behnaz Bonsakhteh*, Abdolhossein Rustaiyan

DOI : http://dx.doi.org/10.13005/ojc/300430


Abstract:

Nano-biotechnology takes most of its fundamentals from nanotechnology which most of the equipment designed for nano-biotechnological are based on other existing nanotechnologies. Nano-biotechnology is often used to describe the overlapping multidisciplinary activities associated with   chemistry, biology and nano-medicine. In this investigation, the ab initio calculations were implemented using Gaussian program package based on density functional level of theory (DFT) to achieve the drug delivery technic for unraveling  of linkage  of Jackfruit  to single walled carbon nanotubes . NMR investigation gives deeper physical insight into the impact of  different structures . In this work NMR parameters were calculated at the Ethyl isovalerate, Propylisovalerate, Isobutyl isovalerate and 3-methyl butyl acetate extracted of Jack fruit with different functional groups in their active sites so, the anticancer properties of this compound have been clarified.

Keywords:

Jackfruit; CNT; anticancer; NMR; DFT; effective compounds

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