N,N '-Diaryl Urea Derivatives: Molecular Docking, Molecular Properties Prediction And Anticancer Evaluation
| Autor: | Zühal Kilic-Kurt, Mehmet Bahat, Filiz Bakar-Ates |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
medicine.diagnostic_test
biology 010405 organic chemistry Chemistry Kinase Stereochemistry Organic Chemistry 010402 general chemistry 01 natural sciences Receptor tyrosine kinase 0104 chemical sciences Analytical Chemistry Flow cytometry Inorganic Chemistry Molecular geometry Docking (molecular) medicine biology.protein Cytotoxic T cell Cytotoxicity HOMO/LUMO Spectroscopy |
| Popis: | A series of diarylurea derivatives have been evaluated for their inhibitor activity against receptor tyrosine kinases and cytotoxicity on SW480 cancer cell line. Some of the analogues showed moderate cytotoxic activity with poor RTK inhibitory effects. Results of flow cytometry data suggested that the cytotoxic effects of the compounds are mediated by apoptosis. Moreover, the molecular geometry and electronic properties of each compounds were calculated at B3LYP/6-31G(d,p) level. The calculated structural parameters, dipole moment, HOMO and LUMO orbital energies were presented. (C) 2019 Elsevier B.V. All rights reserved. |
| Databáze: | OpenAIRE |
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