Synthesis,biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors |
| |
Institution: | 1. Institute of Chemistry, University of the Punjab. Lahore 54590, Pakistan;2. Renacon Pharma Limited, Lahore 54600, Pakistan;3. Division of Science and Technology, University of Education, Lahore, Pakistan;4. KAM School of Life Sciences, FC College (A Chartered University), Lahore, Pakistan;5. Department of Chemistry, University of Okara, Okara, Pakistan;6. Department of Chemistry and Biology, Ryerson University, 350 Victoria Street Toronto Ontario, M5B 2K3 Canada;7. Department of Biosciences, COMSATS University Islamabad, Park Road, Islamabad, Pakistan |
| |
Abstract: | Urease is an important enzyme which breaks urea into ammonia and carbon dioxide during metabolic processes. However, an elevated activity of urease causes various complications of clinical importance. The inhibition of urease activity with small molecules as inhibitors is an effective strategy for therapeutic intervention. Herein, we have synthesized a series of 19 benzofurane linked N-phenyl semithiocarbazones (3a–3s). All the compounds were screened for enzyme inhibitor activity against Jack bean urease. The synthesized N-phenyl thiosemicarbazones had varying activity levels with IC50 values between 0.077 ± 0.001 and 24.04 ± 0.14 μM compared to standard inhibitor, thiourea (IC50 = 21 ± 0.11 μM). The activities of these compounds may be due to their close resemblance of thiourea. A docking study with Jack bean urease (PDB ID: 4H9M) revealed possible binding modes of N-phenyl thiosemicarbazones. |
| |
Keywords: | Thiosemicarbazides Phenyl thiosemicarbazones Urease inhibitor Thiourea Benzofurane derivatives Jack bean urease |
本文献已被 ScienceDirect 等数据库收录! |
|