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Imidazole‐thiadiazole hybrids: A multitarget de novo drug design approach, in vitro evaluation, ADME/T, and in silico studies
Design and testing of new imidazole-thiadiazole compounds targeting multiple sites, including lab tests, drug properties, and computer simulations
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Abstract
Compounds 5-7, 9-11, 18, and 19 showed potent inhibition of α-glucosidase and α-amylase with IC values ranging from 1.4 ± 0.01 to 13.6 ± 0.01 µM.
- Derivatives displayed strong inhibitory effects against α-glucosidase compared to the standard acarbose.
- Inhibition values for α-amylase ranged from 0.9 ± 0.01 to 12.8 ± 0.02 µM, indicating significant activity.
- Compounds 11-13, 16, 20, and 21 were effective against acetylcholinesterase, with IC values between 8.6 ± 0.02 and 34.7 ± 0.03 µM.
- Compound 21 showed inhibition against butyrylcholinesterase comparable to donepezil chloride.
- All compounds exhibited excellent antioxidant activities through multiple assays including CUPRAC, FRAP, and DPPH.
- Kinetics, ADME/T, and molecular docking analyses supported pharmacokinetics and safety profiles of the compounds.
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