Simulation of Interaction Energy of Hemoglobin Docking with Nano Biomaterials for Hypoglycemic Treatment
DOI:
https://doi.org/10.71109/nmi.2025.1.2.8Keywords:
Forxiga, docking, blood sugar, Simulation, Glucose, nano Cinnamon, diabetesAbstract
Simulation of the electronic and thermodynamic properties of deoxyhemoglobin docking with nano Cinnamon and Glucose, as well as the docking of glucose with hypoglycemic medications, were studied using the Gaussian 09 program. The optimized structures of the dockings were executed. The effect of the drug (Forxiga) and (nano Cinnamon) docking with deoxyhemoglobin was ascertained. The results show that the deoxyhemoglobin docking with nano Cinnamon causes a non-spontaneous change in Gibbs free energy. Moreover, the change in enthalpy indicates that every reaction is endothermic. Thus, it can be concluded that, whereas nano Cinnamon is docking with deoxyhemoglobin safe and harmless. Glucose has a negative effect on the human body's circulation. Structures have been modeled and prepared in the GaussView 6.0.16 program using density functional theory at the level (B3LYP), with basis set (6 -311G(d,p)).
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