A comparative theoretical study of some physicochemical properties of R and S enantiomers of ibuprofen, ketoprofen and flurbiprofen is undertaken in order to understand their reactivity. To do this, DFT and TD-DFT methods at the B3LYP/6-311G(d,p) level theory are used. The partit...
Open access
Research Article10.9734/CSJI/2020/v29i530180
Aims: This research aims to analyze the interactions within Epicatechin…Phenylalanine complexes and compare them to those in Epicatechin…Alanine complexes through theoretical chemistry calculations. Methodology: The interactions between Epicatechin and Phenylalanine, an amino aci...
Open access
Research Article10.9734/ajocs/2025/v15i1344
Fungal infections have increased significantly in recent years and represent a major threat to human health. A large number of these infections are caused by the opportunistic pathogen Candida albicans. Lanosterol 14-alpha demethylase (CYP51), a critical enzyme in the cytochrome...
Open access
Research Article10.9734/irjpac/2025/v26i1899