The interactions of two crucial proteins of COVID-19 have been investigated with potential
antiviral compounds from Moringa oliefera using quantum chemical, molecular docking and …

A novel drug to treat SARS-CoV-2 infections and hydroxyl chloroquine analogue, 1-(2, 3-
dihydrobenzo [b][1, 4] dioxin-6-yl)-2-(furan-2-yl)-4, 5-diphenyl-1H-imidazole (DDFDI) …

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

A simple S–S (disulfide)-bridged dimeric Schiff base probe, L, has been designed,
synthesized, and successfully characterized for the specific recognition of Al3+ and Fe2+ …

Hepatocellular carcinoma is one of the severe types of malignancy characterized by rapid
tumor growth and is mostly found in the last stage of very advanced tumor formation. In this …

Spectroscopic analysis, DFT studies and surface enhanced Raman scattering (SERS) of
antimicrobial bioactive 4-[(5-tert-butyl) 2-hydroxybenzylidene] amino-N-(4, 6 …

To improve the effect of pine rosin in plant fungicides, four series of dehydroabietyl-1, 3, 4-
thiadiazole derivatives from the natural product rosin were synthesized. Based on the …

Abstract Adsorption of 2, 4, 6-tribromoaniline (BA), 2, 4, 6-trifluoroaniline (FA) and 2, 4, 6-
trichloroaniline (CA) onto the surface of coronene/fullerene/fullerene-like nanocages was …

Isoflavenes have received the greatest research attention among the many groups of
phytoestrogens. In this study, various isoflavene-based Mannich bases were selected for …

The organic molecule tenoxicam and similar derivatives, piroxicam and isoxicam have been
studied by quantum chemical theory (DFT), FT-Raman and FT-IR. By FMOs energies the …