Journal2024دسترسی آزاد
Novel coumarin-based acetohydrazide-1,2,3-triazole derivatives as urease enzyme inhibitors: Synthesis, in vitro evaluation, and molecular dynamics simulation studies
Heliyon Vol. 11, No. 1, e41321–e41321
چکیده
tends to remain near the SER579-HIS593 α-helix rather than the nickel ions, stabilizing it in an open state. Thus, the MD studies confirmed the proposed mechanism of uncompetitive inhibition. Overall, these findings highlight the potential of coumarin-based acetohydrazide-1,2,3-triazole hybrids as potent and novel inhibitors for developing new therapeutics against urease-related diseases.
موضوعات و کلیدواژهها
Click Chemistry and ApplicationsSynthesis and Characterization of Heterocyclic CompoundsSynthesis and biological activityCoumarinUreaseChemistryTriazoleIn vitroEnzyme124-TriazoleCombinatorial chemistryMolecular dynamicsComputational chemistryStereochemistryOrganic chemistryBiochemistry
ارجاع علمی
Hassan Sepehrmansourie, Mohammad Reza Azimi, Ahmad Ebadi, Gholamabbas Chehardoli, Mohammad Ali Zolfigol, Massoud Amanlou, Mohammad Nazari Montazer, Mohammad Mahdavi, Zahra Najafi. “Novel coumarin-based acetohydrazide-1,2,3-triazole derivatives as urease enzyme inhibitors: Synthesis, in vitro evaluation, and molecular dynamics simulation studies.” Heliyon, 2024. https://doi.org/10.1016/j.heliyon.2024.e41321