Yazar "Doraghi, Fatemeh" seçeneğine göre listele

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    4-Phenylthiazol-1,2,3-triazole derivatives as new potential α-glucosidase and α-amylase inhibitors
    (Elsevier, 2025) Ghanbarlou, Mehdi; Karimian, Somaye; Doraghi, Fatemeh; Dadgar, Armin; Senol, lbilge Merve; Larijani, Bagher; Mohammadi-Khanaposhtani, Maryam
    Type-2 diabetes mellitus (T2DM) can be managed by targeting carbohydrate hydrolases such as alpha-glucosidase and alpha-amylase. In this regard, a new 4-phenylthiazol-benzamide-1,2,3-triazole-N-phenylacetamide scaffold was designed via molecular hybridization (MH), and 15 derivatives (9a-o) were synthesized by changing the substituents on the phenyl ring of the N-phenylacetamide moiety. These compounds were evaluated as potent alpha-glucosidase and alpha-amylase inhibitors. The in vitro results indicated that the half maximal inhibitory concentration (IC50) of compounds 9a-o ranged from 10.71 to 42.35 nM against alpha-glucosidase and 49.17-81.94 nM against alpha-amylase while the IC50 values of the positive control acarbose against alpha-glucosidase and alpha-amylase were 62.03 and 105.44 nM, respectively. The most potent compound against both digestive enzymes was compound 9g with two methyl groups on positions 2 and 3 of the phenyl ring of the N-phenylacetamide moiety. Compound 9g was 5.79 and 2.14 times more potent than acarbose against alpha-glucosidase and alpha-amylase, respectively. The docking study showed that all the synthesized compounds (9a-o) attached to the active sites of alpha-glucosidase and alpha-amylase with lower binding energies in comparison to acarbose. Furthermore, according to the dynamics simulation, compound 9g established a stable complex with the active site of alpha-glucosidase.
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    Design of novel benzimidazole-propane hydrazide derivatives as α-glucosidase and α-amylase inhibitors: in vitro and in silico studies
    (Springer Birkhauser, 2025) Mohammadizadeh, Shiva; Karimian, Somaye; Dastyafteh, Navid; Noori, Milad; Doraghi, Fatemeh; Mohammadi-Khanaposhtani, Maryam; Larijani, Bagher
    A new series of benzimidazole-propane hydrazide derivatives 9a-k were designed, synthesized, and evaluated for their inhibition ability against alpha-glucosidase and alpha-amylase. The results of the in vitro evaluations showed that all the tested compounds exhibited significant inhibition against alpha-glucosidase and alpha-amylase. Title compounds 9a-k exhibited varying degrees of inhibitory ability against alpha-glucosidase, with IC50 values in the range of 73.86-151.54 nM, in comparison to the standard acarbose drug with IC50 value of 174.50 nM. Similarly, these compounds demonstrated varying degrees of alpha-amylase inhibitory ability (the IC50 values ranged from 42.50 to 78.58 nM in comparison to acarbose with IC50 of 79.05 nM). Among the synthesized compounds, compound 9 h demonstrated the highest alpha-glucosidase inhibitory activity and compound 9 f demonstrated the highest anti-alpha-amylase activity. To further investigation on the potential of these derivatives as alpha-glucosidase and alpha-amylase inhibitors, molecular docking were conducted on all the synthesized compounds 9a-k. Docking results were in agreement with in vitro results. Molecular dynamics of compound 9 h showed that complex compound 9h-alpha-glucosidase had acceptable stability and flexibility. Calculations of physicochemical properties of compound 9a-k showed that these compounds fallowed of the main drug-likeness rules. Furthermore, the prediction of pharmacokinetics and toxicity profiles of compound 9 h showed that this compound can be considered as a lead drug structure.