Insights into the inhibitory activity and mechanism of natural compounds from Rhinacanthus nasutus on α-glucosidase through kinetic, molecular docking, and molecular dynamics studies DOI
Thi‐Kim‐Dung Le,

Felicitas Ene,

Thuc‐Huy Duong

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140527 - 140527

Опубликована: Окт. 1, 2024

Язык: Английский

Effects of hydrodynamic cavitation combined with snail enzyme treatment on the structure and functional properties of water-soluble dietary fiber in rice husks DOI Creative Commons

Zhigang Quan,

Mingming Chen, Dongjie Zhang

и другие.

Ultrasonics Sonochemistry, Год журнала: 2025, Номер 113, С. 107236 - 107236

Опубликована: Янв. 19, 2025

In this study, we adopted the synergistic modification technology of hydrodynamic cavitation and snail enzyme, to improve yield activity soluble dietary fibers (SDFs) rice husk. The physicochemical properties, structural changes, inhibition α-glucosidase α-amylase SDFs were examined in vitro. This treatment significantly increased 18.64 % ± 0.16 %, reduced particle size 122.33 0.26 nm, specific surface area 1.718 0.002 m2/g. absolute value zeta potential -36.39 0.12 mV, indicating an excellent solution stability gel-forming ability. At same time, water-holding, oil-holding, swelling capacities enhanced, reaching 8.52 0.09 g/g, 4.85 0.29 7.29 0.25 mL/g, respectively. Structural analysis showed that destroyed fiber structure, produced a large number small molecule fragments, changed monosaccharide components functional group distribution. Functional evaluation inhibitory effect CE-SDF on was enzymatic reaction kinetic revealed both enzymes competitive inhibitors, with IC50 values 2.893 1.727 mg/mL, summary, enzyme greatly optimized properties husk SDFs, providing theoretical basis for its application field hypoglycemic drugs foods.

Язык: Английский

Процитировано

0

Phenolic Compounds: Investigating Their Anti-Carbonic Anhydrase, Anti-Cholinesterase, Anticancer, Anticholinergic, and Antiepileptic Properties Through Molecular Docking, MM-GBSA, and Dynamics Analyses DOI Creative Commons
Musa Tozlu, Mahinur Kırıcı, Alireza Poustforoosh

и другие.

Korean Journal of Chemical Engineering, Год журнала: 2025, Номер unknown

Опубликована: Фев. 8, 2025

Abstract Phenolic compounds are a new class of Carbonic Anhydrase inhibitors (CAIs). Despite numerous advancements in treatment approaches, cancer continues to be growing health problem worldwide. In our study, we tested the effects 4-hydroxy-3-methoxyacetophenone (1) , doxycycline hydrochloride (2) 5,7-dichloro-8-hydroxyquinoline (3) methyl 3,4,5-trihydroxybenzoate (4) 2-hydroxy-4-methylacetophenone (5) 6-hydroxy-4-methylcoumarin (6) and 2,5-dihydroxyacetophenone (7) on Achetylcholynesterase (AChE), Butrycholynesterase (BChE), Human anhydrase I (hCA I) enzymes. The U2OS human osteosarcoma cell line was used determine anticancer potential these phenolic compounds. proliferation colony formation were analyzed using Neutral Red Uptake (NRU) assay clonogenic assay. K i values arachidonoyl dopamine, 2,4,6-trihydroxybenzaldehyde, 3,4-dihydroxy-5-methoxybenzoic acid 203.80, 1170.00, 910.00 mM, respectively, for hCA I, 75.25, 354.00, 1510.00 II II). Additionally, IC 50 from vivo studies found range 173.25 1360.00 mM CA II, CO 2 -hydratase activity methods. NRU results revealed that had dose-dependent cytotoxic effect cells. cells determined > 100, 93.7, 81.4, 26.9, 53.1, 100 µM, respectively. Notably, compound with lowest value, significantly suppressed at 5 10 µM concentrations. These demonstrated could inhibit approximately 30% CO2-hydratase total enzyme rat erythrocytes. Furthermore, suggests molecules pave way development approaches treatment. activities seven studied compared against AChE (PDB ID: 4M0E), BChE 5NN0), 2CAB), E3 ubiquitin-protein ligase 4HG7) proteins. binding free energy molecule highest docking score is computed MM/GBSA techniques. Finally, molecular dynamics simulations performed between 4M0E protein over 0–200 ns interval. Graphical abstract

Язык: Английский

Процитировано

0

Insights into the inhibitory activity and mechanism of natural compounds from Rhinacanthus nasutus on α-glucosidase through kinetic, molecular docking, and molecular dynamics studies DOI
Thi‐Kim‐Dung Le,

Felicitas Ene,

Thuc‐Huy Duong

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140527 - 140527

Опубликована: Окт. 1, 2024

Язык: Английский

Процитировано

1