One-pot synthesis of pyrazolo[4,3-<i>d</i>]thiazole derivatives containing α-aminophosphonate as potential Mur A inhibitors against MDR pathogens with radiosterilization and molecular modeling simulation
Ahmed Ragab, Seham A. Ibrahim, Dina S. Aboul‐Magd, Mohamed H. Baren
Abstract
= 12.7 ± 0.27 μM). To our surprise, exposing 5a and 5b compounds to different gamma radiation doses revealed that 7.0 kGy eradicated the microbial load completely. Finally, the results of quantum chemical study supported the binding mode obtained from the docking study performed inside the active site of MurA (PDB: 1UAE), suggesting that these phosphonates may be promising safe candidates for MDR infection therapy clinical trials with no toxic effects on the normal human cells.
Topics & Concepts
FosfomycinThiazoleChemistryAntimicrobialFluconazoleMinimum inhibitory concentrationIn vitroNuclear chemistryStereochemistryCombinatorial chemistryBiochemistryAntifungalOrganic chemistryMicrobiologyBiologyOrganophosphorus compounds synthesisSynthesis and Characterization of Heterocyclic CompoundsPneumocystis jirovecii pneumonia detection and treatment