Design and synthesis of novel potent anticoagulant and anti-tyrosinase pyranopyrimidines and pyranotriazolopyrimidines: Insights from molecular docking and SAR analysis |
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| Institution: | 1. University of Monastir, Faculty of Science of Monastir, Laboratory of Heterocyclic Chemistry, Natural Products and Reactivity (LR11ES39), Team: Medicinal Chemistry and Natural Products, Avenue of Environment, 5019 Monastir Tunisia;2. University of Monastir, Faculty of Pharmacy of Monastir, Laboratory of Transmissible Diseases and Biologically Active Substances, 5000 Monastir, Tunisia;3. King Saud University, Department of Zoology, College of Science, Riyadh, Saudi Arabia;1. Chemistry Department, College of Sciences, Shiraz University, Shiraz 71454, Iran;2. Pharmacology Research Center, Zahedan University of Medical Sciences, Zahedan, Iran;3. Cellular and Molecular Research Center, Resistant Tuberculosis Institute, Zahedan University of Medical Sciences, Zahedan, Iran |
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| Abstract: | Pyrimidine-fused compounds are of great interest for the discovery of potent bioactive agents. This study describes the synthesis of novel pyranopyrimidines 3a-f and pyranotriazolopyrimidines 4a-d derivatives via the cyclocondensation reaction of α-functionalized iminoether 2, which was obtained from 2-amino-3-cyanopyrane 1, with a series of primary aromatic amines and hydrazides, respectively. Structures of all synthesized compounds were established on the basis of spectroscopic methods including 1H NMR, 13C NMR and ES-HRMS. They were finally tested for their anticoagulant and anti-tyrosinase activities. Significant results have been obtained and the structure-activity relationship (SAR) was discussed with the help of molecular docking analysis. |
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| Keywords: | Pyranopyrimidines Pyranotriazolopyrimidines Anticoagulant Anti-tyrosinase Molecular docking SAR |
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