4-Fluorochalcone as a novel therapeutic agent for cervical cancer: An in-depth spectroscopic and computational study
4-Fluorochalcone in Cervical Cancer Therapy: Spectroscopic and Computational Insights
This study investigates 4-Fluorochalcone as a potential anticancer agent using both experimental and computational methods. FT-IR, FT-Raman, and UV–Vis spectroscopy provided detailed information about its structural and electronic properties in ethanol solution. Density Functional Theory calculations using the B3LYP functional and cc-pVTZ basis set were used to predict the molecule's geometry, vibrational frequencies, and electronic transitions. The UV–Vis analysis revealed n to π* and π to π* transitions, while Mulliken charge analysis and Molecular electrostatic potential surface mapping identified reactive sites within the molecule. Natural bond orbital analysis highlighted potential bioactive sites. Molecular docking and dynamics simulations showed that 4-Fluorochalcone binds effectively to Protein Kinase CK2, suggesting its potential to inhibit cervical cancer progression. These findings suggest that 4-Fluorochalcone could be a promising candidate for developing new cancer therapies.
This study investigates 4-Fluorochalcone as a potential anticancer agent using both experimental and computational methods. FT-IR, FT-Raman, and UV–Vis spectroscopy provided detailed information…
We show that an SnO2-based water-gate thin film transistor (WGTFT) biosensor responds to a waterborne analyte, the spike protein of the SARS-CoV-2 virus, by a parallel potentiometric and…