Synthesis,molecular docking and biological evaluation of some benzimidazole derivatives as potent pancreatic lipase inhibitors |
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| Institution: | 1. Department of Chemistry, University of Baltistan, Skardu, Kargil-Skardu Road, Hussainabad, Skardu, Gilgit-Baltistan, Pakistan;2. Department of Clinical Pharmacy, Institute of Research and Medical Consultation (IRMC), Imran Abdulrahman Bin Faisal University, P.O. Box 1982, Damam 31441, Saudi Arabia;3. Department of Chemistry, Hazara University, Mansehra-21300, Khyber Pakhtunkhwa, Pakistan;4. Department of Chemistry, University of Poonch Rawalakot AJK, Pakistan;5. Chemical Engineering Discipline, School of Engineering, Monash University Malaysia, Jalan Lagoon Selatan, 47500 Bandar Sunway, Selangor, Malaysia;6. Department of Biochemistry, Hazara University, Mansehra-21300, Khyber Pakhtunkhwa, Pakistan;7. H. E. J. Research Institute of Chemistry, International Center for Chemical and Biological Sciences, University of Karachi, Karachi 75270, Pakistan;8. Department of Chemistry, University of Karachi, Karachi, 75270 Pakistan;9. Faculty of Pharmacy, Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor D. E., Malaysia;10. Atta-ur-Rahman Institute for Natural Products Discovery (AuRIns), Universiti Teknologi MARA Cawangan Selangor Kampus Puncak Alam, 42300 Bandar Puncak Alam, Selangor D. E., Malaysia;11. Natural and Medical Sciences Research Center, University of Nizwa, Nizwa 616, Oman |
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| Abstract: | In this study, a new series of benzimidazole and bisbenzimidazole derivatives were prepared via the reaction of iminoester hydrochlorides and o-phenylenediamines and then screened for their lipase inhibition properties. Among the synthesized molecules, compounds 7a, 8a and 8c showed the best inhibitory effect against lipase enzyme with IC50 values of 1.72 ± 0.12 µM, 1.92 ± 0.28 and 0.98 ± 0.07 µM, respectively. Moreover, molecular modeling studies were performed in order to understand to the inhibitory activity of the molecules. Binding poses of the studied compounds were determined at the target sites using induced fit docking (IFD) algorithms. |
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| Keywords: | Benzimidazole Bisbenzimidazole Piperazine Mebendazole Lipase inhibition Molecular docking |
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