PHỨC Ti(PLB)2: ỨNG DỤNG TRONG PHÂN TÍCH TITAN BẰNG PHƯƠNG PHÁP UV-VIS VÀ ĐẶC TÍNH KHÁNG KHUẨN/CHỐNG ĐÁI THÁO ĐƯỜNG TRONG SILICO

Tóm tắt

This research demonstrates that the Ti(PLB)2 complex in solution exhibits a maximum absorption
wavelength of 500 nm, the complex has a composition of 1:2, remains stable after 3 minutes at
pH=5. It shows linear concentration in the range of 2x10-6
- 9x10-6 M, with ε = 5.47x105
and a
stability constant is 8.6x104
. The research results indicate that the Ti(PLB)2 complex can be utilized
for titanium analysis in solution, as evidenced by barrier ions and repeatability. The Ti(PLB)2
complex showed inhibition of S. aureus bacteria. Furthermore, it inhibited the α-glucosidase
enzyme in silico through computational models. Calculation results show that the structure of the
Ti(PLB)2 complex is pose 159, which is well bound to the 3TOP enzyme, with ΔGo = -7.66 Kcal.mol1
and inhibition constant, Ki=2.43µM, in-depth analysis shows that the complex inhibits the 3TOP
enzyme uncompletely. Research pharmacokinetics as drugs, ADMET showed that the complex was
less soluble in water (logs and log D) and pharmacological parameters, including drug absorption,
drug distribution, drug metabolism, drug excretion and drug toxicity were all within allowable
limits. The Ti(PLB)2 complex exhibits strong inhibitory activity against α-glucosidase with an IC50
value of 48.47µM. This research enhances our understanding of how Plumbagin complexes with
metal ions can be used for various purposes.