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...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Turkish Chemical Society
2020-10-01
|
| Series: | Journal of the Turkish Chemical Society, Section A: Chemistry |
| Subjects: | |
| Online Access: | https://dergipark.org.tr/tr/pub/jotcsa/issue/55312/705951 |
| _version_ | 1797922631630979072 |
|---|---|
| author | Zühal Kılıç Kurt |
| author_facet | Zühal Kılıç Kurt |
| author_sort | Zühal Kılıç Kurt |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-10T14:35:29Z |
| format | Article |
| id | doaj.art-f1532a4346a64d9194a418d2715b7206 |
| institution | Directory Open Access Journal |
| issn | 2149-0120 |
| language | English |
| last_indexed | 2024-04-10T14:35:29Z |
| publishDate | 2020-10-01 |
| publisher | Turkish Chemical Society |
| record_format | Article |
| series | Journal of the Turkish Chemical Society, Section A: Chemistry |
| spelling | doaj.art-f1532a4346a64d9194a418d2715b72062023-02-15T16:08:39ZengTurkish Chemical SocietyJournal of the Turkish Chemical Society, Section A: Chemistry2149-01202020-10-017375377410.18596/jotcsa.705951Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking StudiesZühal Kılıç Kurt0https://orcid.org/0000-0002-7491-4089Ankara UniversityIn 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.https://dergipark.org.tr/tr/pub/jotcsa/issue/55312/705951oxadiazolevegfr-2docking |
| spellingShingle | Zühal Kılıç Kurt Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies Journal of the Turkish Chemical Society, Section A: Chemistry oxadiazole vegfr-2 docking |
| title | Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies |
| title_full | Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies |
| title_fullStr | Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies |
| title_full_unstemmed | Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies |
| title_short | Synthesis of Novel Oxadiazole Derivatives, Molecular Properties Prediction and Molecular Docking Studies |
| title_sort | synthesis of novel oxadiazole derivatives molecular properties prediction and molecular docking studies |
| topic | oxadiazole vegfr-2 docking |
| url | https://dergipark.org.tr/tr/pub/jotcsa/issue/55312/705951 |
| work_keys_str_mv | AT zuhalkılıckurt synthesisofnoveloxadiazolederivativesmolecularpropertiespredictionandmoleculardockingstudies |