This study describes the synthesis, characterisation, in-silico exploration, and theoretical
investigation of a novel 5-Methyl-2-(((1S, 4R)-1, 7, 7-trimethylbicyclo [2.2. 1] heptan-2 …

This study examines how solvation models, including COSMO, CPCM, PCM, and SMD,
affect the conformations, molecular structure, vibrational behaviors, and electronic properties …

This study details the synthesis, characterization, and comprehensive computational
analysis of a novel (R)-camphor-based thiazolidinone derivative. The structural integrity of …

Compared to other drug discovery sources, traditional medicine has significantly contributed
to developing innovative therapeutic molecules for preventive and curative medicine. The …

Adansonia digitata extracts are well known for their wide range of nutritional and medicinal
benefits, including anti-diabetic, anti-inflammatory, antioxidant, and anti-cancerous …

The present investigation aims to validate the larvicidal and antibacterial potential of
Cladophora sp through in vitro and in silico approaches. The presence of phytoconstituents …

This investigation focuses on the 1-benzyl-indole-3-carbinol (1-benzyl-I3C) molecule and its
capacity as a drug to combat breast cancer. The research employs different computational …

This study investigates 4-Fluorochalcone as a potential anticancer agent using both
experimental and computational methods. FT-IR, FT-Raman, and UV-Vis spectroscopy …

Next-generation sequencing (NGS) has transformed genomics by allowing researchers to
sequence DNA and RNA at highest speed, accuracy, and cost-effectiveness. Researchers …

The optimized molecular structures and the harmonic vibrational wavenumbers of the insatin
derivatives, designated as compounds 3a, 3b, 3c, and 3d, were calculated in the gas phase …