Abstract
A novel series of 1,2,3-triazole-benzimidazolidinone hybrid derivatives were designed and synthesized via click reaction, between various aryl azide and a terminal alkyne bearing a ben-zimidazolidinone moiety. All newly synthesized compounds, were efficiently characterized using 1H NMR, 13C NMR and HRMS. Furthermore, the structure of one precursor 5b was supported by single crystal X-ray diffraction. All synthesized derivatives have been evaluated for their antimicro-bial and anti-inflammatory activities. Biological activity tests exhibited that the target structures demonstrate that compounds 5a, 5b and 5f have a high antibacterial activity especially derivative 5b. Besides, the in vitro antifungal results revealed that the strongest inhibition recorded to com-pound 5b in comparison to other products against A. brasiliensis, A. fumigatus and C. albicans. Bio-logical activity evaluation indicated that the synthesized compounds possess moderate anti-inflammatory effects. The most effective compound in terms of efficacy and potency was 5a. Molec-ular docking simulation was used to investigate the most active compounds' probable binding mechanisms in order to provide a plausible explanation for their biological activity.(c) 2023 The Authors. Published by Elsevier B.V. on behalf of King Saud University. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).