Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies
In this work, synthesis of novel 1,3,4-oxadiazole derivatives were reported. Good molecular properties profile was predicted for the target compounds. In drug likeness prediction, compound 4b and 8b possess the highest score of 0.31 and 0.33, respectively. Since the compounds have good bioactivity sc...
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| Format: | Article |
| Language: | English |
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Turkish Chemical Society
2020-10-01
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| Series: | Journal of the Turkish Chemical Society, Section A: Chemistry |
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| Online Access: | https://dergipark.org.tr/tr/pub/jotcsa/issue/55312/705951 |
| Summary: | In this work, synthesis of novel 1,3,4-oxadiazole derivatives were reported. Good molecular properties profile was predicted for the target compounds. In drug likeness prediction, compound 4b and 8b possess the highest score of 0.31 and 0.33, respectively. Since the compounds have good bioactivity scores as kinase inhibitor, possible interactions of compounds with VEGFR-2 kinase and probable binding conformations were evaluated by molecular docking. All compounds formed hydrogen bonding interactions with Asp1046 amino acid of key residues. |
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| ISSN: | 2149-0120 |