Abstract
This researchpaper includes the incorporation of Alliin at various energy levels and angles With Metformin using Gaussian 09 and Gaussian view 06. Two computers were used in this work. Samples were generated to draw, integrate, simulate and measure the value of the potential energy surface by means of which the lowest energy value was (-1227.408au). The best correlation compound was achieved between Alliin and Metformin through the low energy values where the best place for metformin to bind was through (CH2-). This is considered to be very useful for the industrial application of drugs. This level of calculation was used for physical and quantum properties such as total energy, HOMO and LUMO orbitals energies, and power gap. Besides, the calculation of FT-IR spectra in the range 400-4000 cm-1 was calculated in addition to the essential vibrational frequencies and the intensity of the vibrational bands. Moreover, the chemical displacement of the 1H and 13C NMR of the compound in the ground state was studied.
Highlights
Metformin has been on the market for more than 50 years and has been developed as th e first line agent of choice for the treatment of type 2 diabetes
The joint recommendations released by the American diabetes association and the European diabetes research association clearly and consistently recommend that this agent should be used in diagnosis alongside lifestyle modification (Wild 2004; Nathan 2009; Nathan2009)
The best compound was chosen, through the lowest value of the potential energy. metformin was binding to the allin through the carboxyl group (-OH) and the potential energy (-1152.191 atomic unit) as in (Figure 1a), as well as the binding through the group of (CH2)
Summary
Metformin has been on the market for more than 50 years and has been developed as th e first line agent of choice for the treatment of type 2 diabetes. In this sense, the joint recommendations released by the American diabetes association and the European diabetes research association clearly and consistently recommend that this agent should be used in diagnosis alongside lifestyle modification (Wild 2004; Nathan 2009; Nathan2009). A further bonus is that metformin is safe and successful in being able to It can be paired with all other ant diabetic oral agents (Papanas 2009). Allicin is the thiosulfinate that is most abundant in fresh garlic, usually. Charge transport models have been seen to be very largeuseful in identifying useful in identifying and recognizing qualitatively specific dimensions of chemical reactions that have arisen through donor-acceptor processes (Chattaraj 2005)
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