Molecular Dynamics and Monte Carlo Simulations for Replacement Sugars in Insulin Resistance, Obesity, LDL Cholesterol, Triglycerides, Metabolic Syndrome, Type 2 Diabetes and Cardiovascular Disease: A Glycobiological Study

Abstract

EditorialKetonic monosaccharide and disaccharide sucrose have long been added to Fructose, Glucose and Galactose to improve their biochemical, glycobiological and biological properties [1][2][3][4][5][6][7][8][9][10][11]. Ketonic monosaccharide and disaccharide have begun to replace larger sugars in insulin resistance, obesity, LDL cholesterol, triglycerides, metabolic syndrome, type 2 diabetes and cardiovascular disease because they can impart different properties such as biochemical, glycobiological and biological properties, at the same time, provide property enhancements at lower loadings sugars form a variety of ordered structures on nanometer length scales, allowing them to severe as a ordered matrix for Fructose, Glucose and Galactose which add functionality to the sugars [11][12][13][14][15][16][17][18][19][20][21]. Discontinuous molecular dynamics simulation is used to study the phase behavior of Fructose, Glucose and Galactose [22][23][24][25]. Considerable effort has been devoted to theoretical and computational simulation studies of sugars phase behavior [26][27][28][29][30][31]. This editorial describes the models used for phase diagrams of selfassembled mono-tethered nanospheres (TNS) from molecular simulation and comparison to larger sugars. An impressive variety of Fructose, Glucose and Galactose of different sugars and geometries has been synthesized. Also, in this editorial, we aim to predict the assembled structures formed from Fructose, Glucose and Galactose as well as to compare with larger sugars. Moreover, we have developed a model for self-assembled mono-tethered nanospheres (TNS) and perform Brownian Dynamics (BD) simulations to investigate the tendency for these model self-assemble.On the other hand, this editorial is in the use of quantum chemical methods for phase equilibrium. We focus on two computational methods related to thermodynamic and biospectroscopic properties and phase behavior. The first is a conceptually straightforward application in which one uses interaction energies between HighFructose Corn Syrup (HFCS) (Glucose-Fructose, Isoglucose and Glucose-Fructose syrup) molecules obtained from quantum chemistry in Monte-Carlo simulation to compute High-Fructose Corn Syrup (HFCS) (Glucose-Fructose, Isoglucose and Glucose-Fructose syrup) molecules thermodynamic and biospectroscopic properties. This has been done as a two-step process. First, the interactions between HighFructose Corn Syrup (HFCS) (Glucose-Fructose, Isoglucose and Glucose-Fructose syrup) molecules are computed from ab initio quantum chemistry. These energies are fit with a model potential function and then used in simulation. Then, in the second step, ab initio calculations have been used to compute interaction energies 5. Bocarsly ME, Powell ES, Avena NM, Hoebel BG (2010) High-fructose corn syrup causes characteristics of obesity in rats: Increased body weight, body fat and triglyceride levels.

Design of Targeted Metal Chelation Therapeutics Nanocapsules as Colloidal Carriers and Blood-Brain Barrier (BBB) Translocation to Targeted Deliver Anti-Cancer Nano Drugs into the Human Brain to Treat Alzheimer's Disease under Synchrotron Radiation

“…Then, immobilization of paclitaxel, camptothecin, doxorubicin, cisplatin and curcumin within the mesoporous silica is studied for the first time. Characterization of paclitaxel, camptothecin, doxorubicin, cisplatin and curcumin containing mesoporous support is described using Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), Dynamic Light Scattering (DLS), Pulsed Laser Deposition (PLD), X-Ray Diffraction (XRD) and Energy-Dispersive X-Ray Spectroscopy (EDX) and also 1 HNMR,13 CNMR, 31 PNMR, Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR), FT-Raman, UV-Vis and HR Mass spectroscopies. Effect of mesoporous pore size on immobilization of this relatively large bio-molecule is taken into consideration.…”

“…This electrode catalyzed the electro-synthesis and decreased the duration of the synthesis to a half. Following the purification, the resulting products were characterized using 1 HNMR, 13 CNMR, 31 PNMR, Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR), FT-Raman, UV-Vis and HR mass spectroscopies. Also, the overall yield of the synthesis and the purity of the product improved significantly.…”

Theoretical Studies for the Discovery of Potential Sucrase-Isomaltase Inhibitors from Maize Silk Phytochemicals: An Approach to Treatment of Type 2 Diabetes

“…This method is often complemented by molecular dynamics (MD) simulations, which explore binding pathways of active molecules in solution to aid in the selection of successful candidates [19]. Several analyses employing MD have reported replacement sugars in insulin resistance [22] and the determination of binding mechanisms of glucoamylase inhibitors through an integrated modelling study combining MD simulations and binding free energy calculations [23], as well as MD analysis of α-amylases and intestinal glucosidases using ACA and miglitol [24].…”

Investigation of the inverse piezoelectric effect of synchrotron light source imaging of electrical stimulation on the fate of nano stem cells and its role and application in regenerative medicine and cancer treatment

“…For example, the early methods of medical electrical therapy to treat neurological and mental disorders, or paralysis, were more than administering electric shocks to patients [12][13][14][15][16][17][18][19][20][21][22]. In today's medicine, the use of low-level electrical energy is now accepted in a wide range of medical specialties, including neurology and psychiatry [23][24][25][26][27][28][29][30][31][32][33][34]. On the other hand, nano stem cells have a high potential in the application of tissue engineering and regenerative medicine due to their self-regeneration ability and high differentiation ability [35][36][37][38][39][40][41][42][43][44][45][46].…”