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Synthesis of new isoquinoline-base-oxadiazole derivatives as potent inhibitors of thymidine phosphorylase and molecular docking study

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

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Abstract

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.

Item Type: Article (Journal)
Additional Information: 4921/77022
Uncontrolled Keywords: new isoquinoline-base-oxadiazole derivatives, inhibitors of thymidine phosphorylase, molecular docking study
Subjects: Q Science > QD Chemistry
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button): Kulliyyah of Pharmacy
Kulliyyah of Pharmacy > Department of Pharmaceutical Chemistry
Depositing User: Dr Qamar Uddin Ahmed
Date Deposited: 12 Dec 2019 15:59
Last Modified: 12 Dec 2019 15:59
URI: http://irep.iium.edu.my/id/eprint/77022

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