Density function theory calculations was used to determine the molecular parameters,
electronic and chemical reactivity descriptors, spectroscopy, and non-linear optical …

A novel Curcumin-NSAIDs prodrug 4-((1E, 3Z, 6E)-3-hydroxy-(4-hydroxy-3-methoxyphenyl)-
5-oxohepta-1, 3, 3-trienyl)-2-methoxyphenyl-2-(4-isobutylphenyl) propanoate (2) derivative …

This work aimed to evaluate the biological activities of 20 flavones (M1 to M20) and discuss
their structure–activity relationships. In vitro assays were established to assess their …

Background Chemicals generically referred to as flavonoids belong to the group of phenolic
compounds and constitute an important group of secondary metabolites due to their …

This article deals with the calculation of the quantum chemical parameters of 1-substituted
βCCM compounds that can be used as effective drugs in the treatment of many diseases. All …

The present investigation utilized in silico methodologies to explore the diverse
pharmacological activities, toxicity profiles, and chemical reactivity of a series of fluoro …

Abstract Formononetin [7-hydroxy-3 (4-methoxyphenyl) chromone or 4′-methoxy daidzein]
is a soy isoflavonoid that is found abundantly in traditional Chinese medicine Astragalus …

In this work, we make use of a model chemistry within Density Functional Theory (DFT)
recently presented, which is called M05-2X, to calculate the molecular structure of the …

Four novel ligands, namely N-benzhydryl benzamide, N, N-diphenethyl benzamide, N, N-
dihexyl benzamide, and N, N-dioctyl benzamide (L1, L2, L3, and L4, respectively), based on …

Context The molecular structure of the compound, spectroscopic investigations (FT-IR, FT-
Raman, and NMR), and the frontier energy level analysis of 5-hydroxy-3, 6, 7, 8 …