Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study
Here in this study regarding the over expression of TP, which causes some physical, mental and socio problems like psoriasis, chronic inflammatory disease, tumor angiogenesis and rheumatoid arthritis etc. By this consideration, the inhibition of this enzyme is vital to secure life from serious threa...
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Nature Publishing Group
2019
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| Online Access: | http://irep.iium.edu.my/77022/ http://irep.iium.edu.my/77022/ http://irep.iium.edu.my/77022/1/2019_Qamar%20_KZ_T_Scientific%20Reports.pdf http://irep.iium.edu.my/77022/8/Scopus%20-%20Qamar.pdf |
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iium-770222019-12-12T07:59:28Z http://irep.iium.edu.my/77022/ Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study Zaman, Khalid Fazal, Rahim Taha, Muhammad Wadood, Abdul Ali Shah, Syed Adnan Ahmed, Qamar Uddin Zakaria, Zainul Amiruddin QD Chemistry Here in this study regarding the over expression of TP, which causes some physical, mental and socio problems like psoriasis, chronic inflammatory disease, tumor angiogenesis and rheumatoid arthritis etc. By this consideration, the inhibition of this enzyme is vital to secure life from serious threats. In connection with this, we have synthesized twenty derivatives of isoquinoline bearing oxadiazole (1–20), characterized through different spectroscopic techniques such as HREI-MS, 1H- NMR and 13C-NMR and evaluated for thymidine phosphorylase inhibition. All analogues showed outstanding inhibitory potential ranging in between 1.10 ± 0.05 to 54.60 ± 1.50 µM. 7-Deazaxanthine (IC50 = 38.68 ± 1.12 µM) was used as a positive control. Through limited structure activity relationships study, it has been observed that the difference in inhibitory activities of screened analogs are mainly affected by different substitutions on phenyl ring. The effective binding interactions of the most active analogs were confirmed through docking study. Nature Publishing Group 2019-12-01 Article PeerReviewed application/pdf en http://irep.iium.edu.my/77022/1/2019_Qamar%20_KZ_T_Scientific%20Reports.pdf application/pdf en http://irep.iium.edu.my/77022/8/Scopus%20-%20Qamar.pdf Zaman, Khalid and Fazal, Rahim and Taha, Muhammad and Wadood, Abdul and Ali Shah, Syed Adnan and Ahmed, Qamar Uddin and Zakaria, Zainul Amiruddin (2019) Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study. Scientific Reports, 9 (1). pp. 1-11. ISSN 2045-2322 10.1038/s41598-019-52100-0 |
| repository_type |
Digital Repository |
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Local University |
| institution |
International Islamic University Malaysia |
| building |
IIUM Repository |
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Online Access |
| language |
English English |
| topic |
QD Chemistry |
| spellingShingle |
QD Chemistry Zaman, Khalid Fazal, Rahim Taha, Muhammad Wadood, Abdul Ali Shah, Syed Adnan Ahmed, Qamar Uddin Zakaria, Zainul Amiruddin Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| description |
Here in this study regarding the over expression of TP, which causes some physical, mental and socio problems like psoriasis, chronic inflammatory disease, tumor angiogenesis and rheumatoid arthritis etc. By this consideration, the inhibition of this enzyme is vital to secure life from serious threats. In connection with this, we have synthesized twenty derivatives of isoquinoline bearing oxadiazole (1–20), characterized through different spectroscopic techniques such as HREI-MS, 1H- NMR and 13C-NMR and evaluated for thymidine phosphorylase inhibition. All analogues showed outstanding inhibitory potential ranging in between 1.10 ± 0.05 to 54.60 ± 1.50 µM. 7-Deazaxanthine (IC50 = 38.68 ± 1.12 µM) was used as a positive control. Through limited structure activity relationships study, it has been observed that the difference in inhibitory activities of screened analogs are mainly affected by different substitutions on phenyl ring. The effective binding interactions of the most active analogs were confirmed through docking study. |
| format |
Article |
| author |
Zaman, Khalid Fazal, Rahim Taha, Muhammad Wadood, Abdul Ali Shah, Syed Adnan Ahmed, Qamar Uddin Zakaria, Zainul Amiruddin |
| author_facet |
Zaman, Khalid Fazal, Rahim Taha, Muhammad Wadood, Abdul Ali Shah, Syed Adnan Ahmed, Qamar Uddin Zakaria, Zainul Amiruddin |
| author_sort |
Zaman, Khalid |
| title |
Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| title_short |
Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| title_full |
Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| title_fullStr |
Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| title_full_unstemmed |
Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| title_sort |
synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study |
| publisher |
Nature Publishing Group |
| publishDate |
2019 |
| url |
http://irep.iium.edu.my/77022/ http://irep.iium.edu.my/77022/ http://irep.iium.edu.my/77022/1/2019_Qamar%20_KZ_T_Scientific%20Reports.pdf http://irep.iium.edu.my/77022/8/Scopus%20-%20Qamar.pdf |
| first_indexed |
2023-09-18T21:48:44Z |
| last_indexed |
2023-09-18T21:48:44Z |
| _version_ |
1777413625436176384 |