Ethotoin

Persicae Semen is an edible Chinese herbal medicine that ameliorates myocardial ischemia.However, its pharmacodynamic properties and mechanisms of action remain unclear.This study aimed to investigate the ameliorative effect of Persicae Semen extract (PS) on acute myocardial ischemia (AMI) in rats and explore its mechanism of action.After the PS administration to rats, 12 compounds were identified in the plasma.PS can significantly improve cardiac function, regulate creatine kinase (CK), creatine kinase MB (CK-MB), cardiac troponin (cTn I), α-hydroxybutyrate dehydrogenase (HBDH), aspartate aminotransferase (AST), and lactate dehydrogenase (LDH) levels in the serum, and ameliorate the pathol. injury of AMI in rats.Metabolomics and network pharmacol. of components absorbed in to plasma showed that PS may regulate the PI3K/Akt/NF-κB pathway and arachidonic acid metabolism, then ameliorate myocardial ischemic injury.This study found that PS significantly improved cardiac function in rats with AMI, through the PI3K/Akt/NF-κB pathway and arachidonic acid metabolism

The quantum chem. properties of hydantoin (imidazolidine-2,4-dione) have been studied by the DFT method (d. functional theory) and exptl. by FT-IR, UV-Vis, ¹H, and ¹³ C NMR.The B3LYP technique is used to determine HOMO-LUMO, vibrational frequency, and other parameters as well as to optimize the structure.Along with that vibrational mode assessment, the estimated vibrational frequencies were compared to exptl. FT-IR spectra.MEP (mol. electrostatic potential) anal. and a Fukui function anal. were both done to look into the reactive regions of the mol. in order to look into the charge distribution of the mol.Addnl., the electron localization function (ELF) value was examined to reveal details about the chem. composition, mol. bonding, and reactivity.The calculation of UV-visible spectra using the TD-DFT/PCM approach is done, and the results are contrasted with UV spectra that have been calculated exptl.From HOMO to LUMO orbitals, electron excitation anal. was carried out.Hole and Electron d. distribution (EDD and HDD) maps were created in an excited state using various solvents.The intermol. interactions on the crystal surface were described and evaluated using fingerprint plots and Hirshfeld surface analyses.The Hirshfeld surface was used to identify different kinds of intermol. interactions, including N-C, N-H, N-O, O-C, and O-H.The ¹H-NMR and ¹³ C-NMR shifts were calculated using the GIAO method, and the results were compared to exptl. spectra.In a biol. investigation utilizing several receptors, mol. docking was employed to identify the most effective ligand-protein interactions.The stability of biomol. systems was investigated using a mol. dynamics simulation.