Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies
Disulfide analogs (1-20) have been synthesized, characterized by HR-MS,1H NMR and13C NMR and screened for urease inhibitory potential. All compounds were found to have varied degree of urease inhibitory potential ranging in between 0.4 ± 0.01 and 18.60 ± 1.24 μM when compared with standard inhibitor...
| Published in: | Bioorganic and Medicinal Chemistry |
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| Format: | Article |
| Language: | English |
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Elsevier Ltd
2015
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84946228073&doi=10.1016%2fj.bmc.2015.10.017&partnerID=40&md5=e220546463e982308f98d0ae9ede33ff |
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2-s2.0-84946228073 Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Riaz M. Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies 2015 Bioorganic and Medicinal Chemistry 23 22 10.1016/j.bmc.2015.10.017 https://www.scopus.com/inward/record.uri?eid=2-s2.0-84946228073&doi=10.1016%2fj.bmc.2015.10.017&partnerID=40&md5=e220546463e982308f98d0ae9ede33ff Disulfide analogs (1-20) have been synthesized, characterized by HR-MS,1H NMR and13C NMR and screened for urease inhibitory potential. All compounds were found to have varied degree of urease inhibitory potential ranging in between 0.4 ± 0.01 and 18.60 ± 1.24 μM when compared with standard inhibitor thiourea with IC5019.46 ± 1.20 μM. Structure activity relationship has been established. The binding interactions of compounds with enzyme were confirmed through molecular docking. All the synthesized compounds 1-20 are new. Our compounds are cheaply synthesizable with high yield and can further be studied to discovery lead compounds. We further, tested for carbonic anhydrase, PDE1 and butyrylcholinesterase but they show no activity. On the other hand we evaluated all compounds for cytotoxicity they showed no toxicity. © 2015 Elsevier Ltd. All rights reserved. Elsevier Ltd 9680896 English Article |
| author |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Riaz M. |
| spellingShingle |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Riaz M. Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| author_facet |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Riaz M. |
| author_sort |
Taha M.; Ismail N.H.; Imran S.; Wadood A.; Rahim F.; Riaz M. |
| title |
Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| title_short |
Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| title_full |
Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| title_fullStr |
Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| title_full_unstemmed |
Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| title_sort |
Synthesis of potent urease inhibitors based on disulfide scaffold and their molecular docking studies |
| publishDate |
2015 |
| container_title |
Bioorganic and Medicinal Chemistry |
| container_volume |
23 |
| container_issue |
22 |
| doi_str_mv |
10.1016/j.bmc.2015.10.017 |
| url |
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84946228073&doi=10.1016%2fj.bmc.2015.10.017&partnerID=40&md5=e220546463e982308f98d0ae9ede33ff |
| description |
Disulfide analogs (1-20) have been synthesized, characterized by HR-MS,1H NMR and13C NMR and screened for urease inhibitory potential. All compounds were found to have varied degree of urease inhibitory potential ranging in between 0.4 ± 0.01 and 18.60 ± 1.24 μM when compared with standard inhibitor thiourea with IC5019.46 ± 1.20 μM. Structure activity relationship has been established. The binding interactions of compounds with enzyme were confirmed through molecular docking. All the synthesized compounds 1-20 are new. Our compounds are cheaply synthesizable with high yield and can further be studied to discovery lead compounds. We further, tested for carbonic anhydrase, PDE1 and butyrylcholinesterase but they show no activity. On the other hand we evaluated all compounds for cytotoxicity they showed no toxicity. © 2015 Elsevier Ltd. All rights reserved. |
| publisher |
Elsevier Ltd |
| issn |
9680896 |
| language |
English |
| format |
Article |
| accesstype |
|
| record_format |
scopus |
| collection |
Scopus |
| _version_ |
1809678486757965824 |