Synthesis of novel oxadiazole derivatives, molecular properties prediction, and molecular docking studies

Creative Commons License

KILIÇ KURT Z.

Journal of the Turkish Chemical Society, Section A: Chemistry, cilt.7, sa.3, ss.753-774, 2020 (Scopus, TRDizin)

Özet

© 2020, Turkish Chemical Society. All rights reserved.In this work, the synthesis of novel 1,3,4-oxadiazole derivatives was reported. A 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 a 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.