The effect of sorbitol on the structure and activity of carboxypeptidase A: Insights from a spectroscopic and computational approach

Mechanism of polyhydroxy alcohol-mediated curing on moisture migration of minced pork tenderloin: On the basis of molecular docking

“…Polyhydric alcohol can reduce the damage caused by salt ions to the protein structure and stabilize the protein structure. Several studies have shown that polyhydroxy alcohol can form many hydrogen bonds with protein to protect protein ( Chen et al, 2020 , Eslami-Farsani et al, 2020 , Mohammadi et al, 2021 ). The binding energy of the head was higher than that of the tail, indicating that different polyhydroxy alcohols could bind more tightly to the myosin head.…”

Molecular mechanism of green tea polyphenol epicatechin gallate attenuating Staphylococcus aureus pathogenicity by targeting Ser/Thr phosphatase Stp1

“…Based on the MD simulation method, some literature has clarified the interaction mechanism between compounds in food and drug targets, providing valuable data for studying the interaction mechanism of these compounds with target proteins. 42–46…”

“…Based on the MD simulation method, some literature has clarified the interaction mechanism between compounds in food and drug targets, providing valuable data for studying the interaction mechanism of these compounds with target proteins. [42][43][44][45][46] In this study, the virtual screening targeting Stp1 was performed to support the development of anti-S. aureus infection agents. Based on the results of virtual screening, seven tea polyphenol compounds extracted from green tea were selected as the candidate compounds with potential anti-Stp1 activity.…”

A Novel Zein-Based Composite Nanoparticles for Improving Bioaccessibility and Anti-Inflammatory Activity of Resveratrol

“…Several thermodynamic parameters calculated from the fluorescence spectra can also indicate the intermolecular interactions between Res and carrier proteins, including ∆H, ∆S and ∆G. It was shown that the values of ∆H and ∆S were −14.9743 kJ/mol and −6.2854 J/mol/K, and the values of ∆G were also negative at 298, 310 and 315 K, respectively (Table S2), suggesting a spontaneous binding of Res with the carrier proteins [32]. According to the theory of Ross and Olsson, hydrogen bonding was dominant in the binding reaction (∆H < 0, ∆S < 0) [33].…”