Tehran University of Medical Sciences

Science Communicator Platform

Stay connected! Follow us on X network (Twitter):
Share By
Novel Benzimidazole Derivatives; Synthesis, Bioactivity and Molecular Docking Study As Potent Urease Inhibitors Publisher Pubmed



Saeedian Moghadam E1 ; Alsadi AM2 ; Talebi M3 ; Amanlou M3, 4 ; Amini M3, 4 ; Abdeljalil R1
Authors

Source: DARU# Journal of Pharmaceutical Sciences Published:2022


Abstract

Background: Benzimidazole derivatives are widely used to design and synthesize novel bioactive compounds. There are several approved benzimidazole-based drugs on the market. Objectives: In this study, we aimed to design and synthesize a series of novel benzimidazole derivatives 8a-n that are urease inhibitors. Methods: All 8a-n were synthesized in a multistep. To determine the urease inhibitory effect of 8a-n, the urease inhibition kit was used. The cytotoxicity assay of 8a-n was determined using MTT method. Molecular modelling was determined using autodock software. Results: All 8a-n were synthesized in high yield, and their structures were determined using 1H-NMR, 13C-NMR, MS, and elemental analyses. In compared to thiourea and hydroxyurea as standards (IC50: 22 and 100 µM, respectively), all 8a-n had stronger urease inhibition activity (IC50: 3.36—10.81 µM). With an IC50 value of 3.36 µM, 8e had the best enzyme inhibitory activity. On two evaluated cell lines, the MTT cytotoxicity experiment revealed that all 8a-n have IC50 values greater than 50 µM. Finally, a docking investigation revealed a plausible way of interaction between the 8e and 8d and the enzyme's active site's key residues. Conclusion: The synthesized benzimidazole derivatives exhibit high activity, suggesting that further research on this family of compounds would be beneficial to finding a potent urease inhibitor. Graphical abstract: [Figure not available: see fulltext.] © 2021, Springer Nature Switzerland AG.
Related Docs
View other Related Docs
1. 2-Aryl Benzimidazole Derivatives Act As Potent Urease Inhibitors; Synthesis, Bioactivity and Molecular Docking Study, Polycyclic Aromatic Compounds (2023)
2. Benzimidazole Derivatives Act As Dual Urease Inhibitor and Anti-Helicobacter Pylori Agent; Synthesis, Bioactivity, and Molecular Docking Study, Synthetic Communications (2022)
3. Novel 5-Fluoro-6-(4-(2-Fluorophenyl)Piperazin-1-Yl)-2-(4-(4-Methylpiperazin-1-Yl)Phenyl)-1H-Benzo[D]Imidazole Derivatives As Promising Urease Inhib-Itors, Letters in Drug Design and Discovery (2024)
Experts (# of related papers)
View all Related Experts
Massoud Amanlou (14)
Mohsen Amini (9)
Other Related Docs
4. Synthesis, Bioactivity, and Molecular Docking of Benzimidazole-2-Carbamate Derivatives As Potent Α-Glucosidase Inhibitors, Journal of Molecular Structure (2023)
5. Piperazine-Based Semicarbazone Derivatives As Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening, Letters in Drug Design and Discovery (2022)
6. Design, Synthesis, and Bioactivity Investigation of Novel Benzimidazole Derivatives As Potent Urease Inhibitors, Synthetic Communications (2022)
7. New Bioactive Dipiperazine Derivatives; Synthesis, Molecular Docking and Urease Inhibition Study, ChemistrySelect (2023)
8. Design and Synthesis of Novel Nitrothiazolacetamide Conjugated to Different Thioquinazolinone Derivatives As Anti-Urease Agents, Scientific Reports (2022)
9. Synthesis, Biological Evaluation and Molecular Docking of Deferasirox and Substituted 1,2,4-Triazole Derivatives As Novel Potent Urease Inhibitors: Proposing Repositioning Candidate, Chemistry and Biodiversity (2020)
10. Synthesis of Piperazine-Based Benzimidazole Derivatives As Potent Urease Inhibitors and Molecular Docking Studies, Scientific Reports (2025)
11. Antileishmanial Activities of (Z)-2-(Nitroimidazolylmethylene)-3 (2H)-Benzofuranones: Synthesis, in Vitro Assessment, and Bioactivation by Ntr 1 and 2, Antimicrobial Agents and Chemotherapy (2022)
12. New 1,2,3-Triazole–(Thio)Barbituric Acid Hybrids As Urease Inhibitors: Design, Synthesis, in Vitro Urease Inhibition, Docking Study, and Molecular Dynamic Simulation, Archiv der Pharmazie (2020)
13. Novel N,N-Dimethylbarbituric-Pyridinium Derivatives As Potent Urease Inhibitors: Synthesis, in Vitro, and in Silico Studies, Bioorganic Chemistry (2020)
14. The Most Up-To-Date Advancements in the Design and Development of Urease Inhibitors (January 2020-March 2024), Journal of Agricultural and Food Chemistry (2025)
15. Benzimidazole-Acrylonitrile Hybrid Derivatives Act As Potent Urease Inhibitors With Possible Fungicidal Activity, Future Medicinal Chemistry (2024)
16. Design, Synthesis, and Evaluation of Metronidazole-1,2,3-Triazole Derivatives As Potent Urease Inhibitors, Chemical Papers (2021)
17. Novel Coumarin-Based Acetohydrazide-1,2,3-Triazole Derivatives As Urease Enzyme Inhibitors: Synthesis, in Vitro Evaluation, and Molecular Dynamics Simulation Studies, Heliyon (2025)
18. Synthesis and Biological Evaluation of New Benzimidazole-1,2,3-Triazole Hybrids As Potential Α-Glucosidase Inhibitors, Bioorganic Chemistry (2020)
19. Design of Novel Benzimidazole-Propane Hydrazide Derivatives As Α-Glucosidase and Α-Amylase Inhibitors: In Vitro and in Silico Studies, Medicinal Chemistry Research (2025)
20. New Thioxothiazolidinyl-Acetamides Derivatives As Potent Urease Inhibitors: Design, Synthesis, in Vitro Inhibition, and Molecular Dynamic Simulation, Scientific Reports (2023)