Novel pyrimidine linked acyl thiourea derivatives as potent α-amylase and proteinase K inhibitors: design, synthesis, molecular docking and ADME studies
H. Fahrul Zaman, Aamer Saeed, Hammad Ismail, Sadaf Anwaar, Muhammad Latif, Muhammad Zaffar Hashmi, Hesham R. El‐Seedi · RSC Advances · 2024
values of 1.790 ± 0.079, 1.794 ± 0.080, and 1.795 ± 0.080 μM, respectively, showed high proteinase K inhibitory activity. A moderate antibacterial activity is also displayed by these compounds (6a-j). The different substitution on the framework of pyrimidine linked acyl thiourea pharmacophore, provided the valuable basis for structure-activity relationship studies. Additionally, to identify the binding affinities of our desired compounds, molecular docking study was used. ADME analysis was also conducted to explore the physicochemical properties. Hence, these studies shed light on the significance of pyrimidine-based acyl thiourea to attain potent efficacy in drug discovery.