Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies |
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| Institution: | 2. Institute of Pharmaceutical Sciences, Kurukshetra University, Kurukshetra-136119, India;3. Institute of Pharmaceutical Sciences, Guru Ghasidas University, Bilaspur-495009, India;4. Deparment of Pharmaceutical Sciences, Guru Jambheshwar University of Science and Technology, Hisar-15001, India;5. Biorefining and Advanced Materials Research Center, Scotland''s Rural College (SRUC), Kings Buildings, Edinburgh, EH9 3JG, United Kingdom;6. Department of Mechanical Engineering, School of Engineering, Shiv Nadar University, Uttar Pradesh, 201914, India |
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| Abstract: | Benzothiazole analogs (1–20) have been synthesized, characterized by EI-MS and 1H 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 (IC50 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. |
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| Keywords: | Benzothiazole Urease inhibitor Synthesis Molecular docking |
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