Abstract:
"D-glucofuranose has potent bioactivity against numerous diseases and pathogens, such as
bacteria, fungi, viruses, and cancer. Normally, the ketal form of D-glucofuranose is converted into the
non-ketal form by drug metabolism in the human body; as a result, both the ketal and non-ketal forms
of D-glucofuranose are considered. To make a comparative biological activity study of ketal and nonketal species of nine derivatives of D-glucofuranose, two bacteria, black fungus, white fungus, and
triple-negative breast cancer, were selected. Firstly, the PASS prediction data from the online PASS
tool indicated the probability of pathogenic efficacy through the Pa and Pi parameters. Secondly, the
computational studies, such as molecular docking, molecular dynamic, ADMET, drug-likeness,
pharmacokinetic, aquatic, and non-aquatic features, were calculated with three FDA-approved drugs,
including azithromycin, nystatin, and cyclophosphamide. A comparative study of computational data
has been performed where the ketal forms of D-glucofuranose derivatives were found highly
biologically active with the satisfaction of the pharmacokinetic parameters, ADMET parameters, and
Lipinski rule."
