Novel pyrazoline linked acyl thiourea pharmacophores as antimicrobial, urease, amylase and α-glucosidase inhibitors: design, synthesis, SAR and molecular docking studies
Aamer Saeed, Atteeque Ahmed, Main Bilal Haider, Hammad Ismail, Khizar Hayat, Ghulam Shabir, Hesham R. El‐Seedi
Abstract
= 68.3 ± 0.11 μM) is a potent α-glucosidase inhibitor, compound 5f (90.3 ± 1.08 μM) is a potent amylase inhibitor and compound 5b (103.4 ± 1.15 μM) is a potent antioxidant. The different substitutions on the phenyl ring were the basis for structure-activity relationship (SAR) study. The molecular docking study was performed for the confirmation of binding interactions.
Topics & Concepts
ThioureaPharmacophoreChemistryAntimicrobialPyrazolineDocking (animal)UreaseAmylaseEnzymeCombinatorial chemistryStereochemistryBiochemistryOrganic chemistryNursingMedicineSynthesis and biological activityComputational Drug Discovery MethodsEnzyme function and inhibition