University of Basra is researching a doctoral thesis on (Preparation, characterization, and theoretical study of some new thiazolidine and pyrazole compounds and evaluation of their inhibitory activity against Amylase enzyme and against prostate cancer).

The College of Education for Pure Sciences, Department of Chemistry, reviewed a doctoral dissertation on (Preparation, Characterization, and Theoretical Study of Some Novel Thiazolidine and Pyrazole Compounds and Evaluation of Their Inhibitory Activity Against α-Amylase and Prostate Cancer). The dissertation, submitted by researcher Haider Abdul Salam Omran, included the preparation of a new series of 1,3-acid compounds and their characterization using Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), and electron microscopy (ESI) mass spectrometry. These compounds were comprehensively evaluated as potential inhibitors of α-amylase for the treatment of type 2 diabetes mellitus (T2DM), and the compounds HR.TH1-6 were also evaluated as inhibitors of the PC3 prostate cancer cell line. In vitro inhibition tests against the PC3 prostate cancer cell line revealed that the tested compounds... (HR.TH1-6) exhibited moderate to weak inhibitory activity; compound (HR.TH6) showed the highest activity within the series with an IC50 value of 108.39 µg/ml, while compound (HR.TH2) showed the weakest activity with an IC50 value of 184.82 µg/ml compared to the reference drug. The compounds were also tested for their activity as α-amylase inhibitors. Compounds (HR.TH1-14) showed strong inhibitory activity against this enzyme, with compounds (HR.TH13) and (HR.TH14) having the most significant effect, with IC50 values ​​of 11.55 ± 0.98 µg/ml and 14.32 ± 0.99 µg/ml, respectively. These values ​​are lower (and therefore better) than the IC50 value of the reference drug, acarbose. Computer simulations using MOE software were also performed to study the docking of the compounds. The molecular docking of compounds HR.TH1-6 to EGFR protein (PDB ID: 1M17) and HR.TH1-14 to α-amylase enzyme (PDB ID: 7TAA) showed strong correlation with in vitro results, revealing robust interactions and high stability of the compounds within the active site of the target proteins. This robustness was demonstrated by the low binding energies of the most bioavailable derivatives, confirming the accuracy of the binding and the compatibility of the chemical interactions with the major amino acid residues in the active site. This, in turn, strengthens the scientific reliability of the in vitro study. These results indicate that the prepared pyrazol-thiazolidine substituents, particularly HR.TH13 and HR.TH14, represent promising compounds for further development as oral antidiabetic agents

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