Docking Studies, Synthesis, and Evaluation of Antioxidant Activities of N-Alkylated, 1,2,4-Triazole, 1,3,4-Oxa-, and Thiadiazole Containing the Aminopyrazolopyridine Derivatives — Oak Academic Publishing
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Docking Studies, Synthesis, and Evaluation of Antioxidant Activities of N-Alkylated, 1,2,4-Triazole, 1,3,4-Oxa-, and Thiadiazole Containing the Aminopyrazolopyridine Derivatives
Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
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Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
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Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
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Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
1 Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
2 Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
3 Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
4 Department of Chemistry, Faculty of Science, Menoufia University, Shebin El-Koam, Egypt
Synthesis of some 1,3,4-thia-, oxa-diazol and 1,2,4 triazole incorporated the biologically active and the pyrazolopyri-dine derivative. Molecular modeling and docking of the active compounds into AKR1C3 complexed with its bound inhibitor indomethacin using Molsoft ICM 3.4-8C program were performed in order to predict the affinity and orientation of the synthesized compounds at the active site.
KeywordsPyrazolopyridineBiologically ActiveMolecular Modeling and Inhibitor
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