Biology-oriented drug synthesis (BIODS) of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives, in vitro α-amylase inhibitory activity and in silico studies
A new library of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives (1 −2 3) were synthesized and characterized by EI-MS and 1H NMR, and screened for their α-amylase inhibitory activity. Out of twenty-three derivatives, two molecules 19 (IC50 = 0.38 ± 0.82 µM) and 23 (IC50 = 1.66 ± 0....
| Published in: | Bioorganic Chemistry |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Academic Press Inc.
2017
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85023632820&doi=10.1016%2fj.bioorg.2017.07.001&partnerID=40&md5=fc98ea30f6544b802e1948269a37dcef |
| Summary: | A new library of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl ether derivatives (1 −2 3) were synthesized and characterized by EI-MS and 1H NMR, and screened for their α-amylase inhibitory activity. Out of twenty-three derivatives, two molecules 19 (IC50 = 0.38 ± 0.82 µM) and 23 (IC50 = 1.66 ± 0.14 µM), showed excellent activity whereas the remaining compounds, except 10 and 17, showed good to moderate inhibition in the range of IC50 = 1.77–2.98 µM when compared with the standard acarbose (IC50 = 1.66 ± 0.1 µM). A plausible structure-activity relationship has also been presented. In addition, in silico studies was carried out in order to rationalize the binding interaction of compounds with the active site of enzyme. © 2017 Elsevier Inc. |
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| ISSN: | 452068 |
| DOI: | 10.1016/j.bioorg.2017.07.001 |