Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies

Zuhal Kılıç Kurt

doi:10.18596/jotcsa.705951

Research Article

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Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies

Year 2020, Volume: 7 Issue: 3, 753 - 774, 30.10.2020

Zuhal Kılıç Kurt

https://doi.org/10.18596/jotcsa.705951

Cited By: 4

Abstract

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.

Keywords

Oxadiazole, VEGFR-2, docking

Supporting Institution

Ankara University

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