Molecular dynamics simulation of the interaction of food proteins with small molecules

X Hu, Z Zeng, J Zhang, D Wu, H Li, F Geng - Food Chemistry, 2023 - Elsevier
Molecular dynamics (MD) simulation is used increasingly to explore mechanisms of
interactions and conformational relationships between food proteins and other food …

Digital database of absorption spectra of diverse flavonoids enables structural comparisons and quantitative evaluations

M Taniguchi, CA LaRocca, JD Bernat… - Journal of Natural …, 2023 - ACS Publications
Flavonoids play diverse roles in plants, comprise a non-negligible fraction of net primary
photosynthetic production, and impart beneficial effects in human health from a plant-based …

Exploring the HSA/DNA/lung cancer cells binding behavior of p-Synephrine, a naturally occurring phenyl ethanol amine with anti-adipogenic activity: multi …

R Taheri, N Hamzkanlu, Y Rezvani… - Journal of Molecular …, 2022 - Elsevier
As a phenolic amine, p-Synephrine (SN) is known to exhibit lipolytic properties as well as
enhancing energy expenditure, which can be an excellent alternative to ephedra as a …

Comparing the inhibitory abilities of epigallocatechin-3-gallate and gallocatechin gallate against tyrosinase and their combined effects with kojic acid

X Song, M Ni, Y Zhang, G Zhang, J Pan, D Gong - Food chemistry, 2021 - Elsevier
Inhibition of tyrosinase activity contributes to the control of food browning and skin
pigmentation diseases. Herein, the inhibitory mechanism of epigallocatechin-3-gallate …

[HTML][HTML] Evaluation of the binding affinity and antioxidant activity of phlorizin to pepsin and trypsin

J Zhang, D Wu, L Tang, X Hu, Z Zeng, W Wu… - Food Science and …, 2024 - Elsevier
Phlorizin (PHL) is a natural compound with strong antioxidant properties mainly found in
apples. In this paper, the interaction mechanism of PHL with pepsin and trypsin was …

An insight into the interaction between malachite green oxalate with human serum albumin: Molecular dynamic simulation and spectroscopic approaches

M Kooravand, S Asadpour, H Haddadi… - Journal of Hazardous …, 2021 - Elsevier
Cationic triarylmethane dyes such as malachite green are aromatic xenobiotic compounds
causing environmental pollution. The affinity between hazardous materials and …

Phenolic-protein interactions in foods and post ingestion: Switches empowering health outcomes

H Guan, W Zhang, D Sun-Waterhouse, Y Jiang… - Trends in Food Science …, 2021 - Elsevier
Background Phenolic compounds are secondary metabolites with wide biological activities,
and their biological activity is inseparable from their interactions with proteins. Phenolic …

New perspective of the ternary complex of nano-curcumin with β-lactoglobulin in the presence of α-lactalbumin: Spectroscopic and molecular dynamic investigations

M Tabasi, P Maghami, Z Amiri-Tehranizadeh… - Journal of Molecular …, 2023 - Elsevier
Understanding the interaction between nano-curcumin (Nano Cur) and proteins is essential
for elucidating the potential therapeutic applications of curcumin in nano formulations. In this …

A comprehensive insight into the effects of punicalagin on pepsin: Multispectroscopy and simulations methods

Y Yue, Y Wang, Q Tu, Y Xu, Y Zhang, Q Tang… - Journal of Molecular …, 2022 - Elsevier
Punicalagin has been attracted much attention owing to its biological activity of regulating
blood glucose and potential as a health benefits. Herein, the binding behavior of …

Insight into the binding behavior, structure, and thermal stability properties of β-lactoglobulin/Amoxicillin complex in a neutral environment

S Habibian-Dehkordi, S Farhadian, M Ghasemi… - Food …, 2022 - Elsevier
Antibiotics are extensively used in agriculture and husbandry, thus threatening human
health due to their direct exposure to dairy products. Therefore, it is essential to investigate …