Integration of FTIR Spectroscopy, Volatile Compound Profiling, and Chemometric Techniques for Advanced Geographical and Varietal Analysis of Moroccan Eucalyptus Essential Oils.

Eucalyptus essential oil is widely valued for its therapeutic properties and extensive commercial applications, with its chemical composition significantly influenced by species variety, geographical origin, and environmental conditions. This study aims to develop a reliable method for identifying the geographical origin and variety of eucalyptus oil samples through the application of advanced analytical techniques combined with chemometric methods. Essential oils from Eucalyptus globulus and Eucalyptus camaldulensis were analyzed using Gas Chromatography-Flame Ionization Detection (GC-FID) and Fourier Transform Infrared (FTIR) Spectroscopy.

QSAR modeling for cytotoxicity of sulfur-containing Shikonin oxime derivatives targeting HCT-15, MGC-803, BEL-7402, and MCF-7 cell lines.

Targeting cancer cells through drug-based treatment or combination therapy protocols involving chemical compounds can be challenging due to multiple factors, including their resistance to bioactive compounds and the potential of drugs to damage healthy cells. This study aims to investigate the relationship between the structure of novel sulfur-containing shikonin oxime compounds and the corresponding cytotoxicity against four cancer types, namely colon, gastric, liver, and breast cancers, through computational chemistry tools. This investigation is suggested to help build insights into how the structure of the compounds influences their activity and understand the mechanisms behind it and subsequently might be used in multi-cancer drug design process to propose novel optimized compounds that potentially exhibit the desired activity.