Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies.

Benzothiazole analogs ( 1 – 20 ) have been synthesized, characterized by EI-MS and 1 H NMR, and evaluated for urease inhibition activity. All compounds showed excellent urease inhibitory potential varying from 1.4 ± 0.10 to 34.43 ± 2.10 μM when compared with standard thiourea (IC 50 19.46 ± 1.20 μM). Among the series seventeen (17) analogs 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 , 12 , 13 , 14 , 16 , 17 , and 18 showed outstanding urease inhibitory potential. Analogs 15 and 19 also showed good urease inhibition activity. When we compare the activity of N -phenylthiourea 20 with all substituted phenyl derivatives ( 1 – 18 ) we found that compound 15 showed less activity than compound 20 having 3-methoxy substituent. The binding interactions of these active analogs were confirmed through molecular docking. [ABSTRACT FROM AUTHOR]