| Autor: |
Sara Moghadam Farid, Milad Noori, Mohammad Nazari Montazer, Minoo Khalili Ghomi, Marjan Mollazadeh, Navid Dastyafteh, Cambyz Irajie, Kamiar Zomorodian, Seyedeh Sara Mirfazli, Somayeh Mojtabavi, Mohammad Ali Faramarzi, Bagher Larijani, Aida Iraji, Mohammad Mahdavi |
| Jazyk: |
angličtina |
| Rok vydání: |
2023 |
| Předmět: |
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| Zdroj: |
Scientific Reports, Vol 13, Iss 1, Pp 1-14 (2023) |
| Druh dokumentu: |
article |
| ISSN: |
2045-2322 |
| DOI: |
10.1038/s41598-023-31080-2 |
| Popis: |
Abstract In this article, different s-substituted benzimidazole-thioquinoline derivatives were designed, synthesized, and evaluated for their possible α-glucosidase inhibitory activities. The most active compound in this series, 6j (X = 4-bromobenzyl) exhibited significant potency with an IC50 value of 28.0 ± 0.6 µM compared to acarbose as the positive control with an IC50 value of 750.0 µM. The kinetic study showed a competitive inhibition pattern against α-glucosidase for the 6j derivative. Also, the molecular dynamic simulations were performed to determine key interactions between compounds and the targeted enzyme. The in silico pharmacodynamics and ADMET properties were executed to illustrate the druggability of the novel derivatives. In general, it can be concluded that these derivatives can serve as promising leads to the design of potential α-glucosidase inhibitors. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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