Antioxidants play a crucial role in protecting biological systems from oxidative stress, which
is implicated in a wide range of diseases. Computational methods have become …

The cardioprotective role of naringin has been scientifically well demonstrated in various
experimental models such as diabetic cardiomyopathy, ischemic heart diseases, diet …

Two conformers of myricetin obtained through a rotation of a dihedral angle were
characterized by the use of molecular electrostatic potential through DFT calculations …

Spectroscopic analysis and different quantum mechanical studies of four phramaceutically
active flavanoid compounds, 5, 7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one …

Flavone and isoflavone derivatives have drawn much attention because of their antioxidant
radical scavenging capacity. Based on computational methods, we now present the …

Flavonoids are compounds that result from the secondary metabolism of plants and play a
crucial role in plant development and mitigating biotic and abiotic stresses. The highest …

In this work, we present a computational study on the antioxidant potential of myricetin 3-O-α-
L-rhamnopyranoside (Compound M3) and myricetin 4′-O-α-L-rhamnopyranoside …

The reason why the local softness (LS) and the local hyper-softness (LHS) allow
comparisons of local reactivities among molecular systems of similar or different sizes is …

This study explains the vibration and interaction of three pharmaceutically active hydrazine
derivatives,(E)-3-((2-(2, 5-difluorophenyl) hydrazono) methyl)-4H-chromen-4-one (DFH),(E) …

It is of great significance to study the relationship between the excited state intramolecular
proton transfer (ESIPT) properties and antioxidant activities of compounds in the field of life …