Synthesis, anticancer evaluation, and molecular docking studies of benzoxazole linked combretastatin analogues
| Autor: | Ala Vasu Babu, Venkat Swamy Puli, K.R.S. Prasad, Vukoti Kiran Kumar, Radhakrishnam Raju Ruddarraju |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Combretastatin
010405 organic chemistry Stereochemistry Organic Chemistry Protein Data Bank (RCSB PDB) Carbon-13 NMR Benzoxazole 01 natural sciences 0104 chemical sciences 010404 medicinal & biomolecular chemistry chemistry.chemical_compound chemistry Cell culture Proton NMR medicine Doxorubicin General Pharmacology Toxicology and Pharmaceutics Receptor medicine.drug |
| Zdroj: | Medicinal Chemistry Research. 29:528-537 |
| ISSN: | 1554-8120 1054-2523 |
| DOI: | 10.1007/s00044-020-02504-9 |
| Popis: | A novel series of benzoxazole linked combretastatin derivatives (11a–11n) have been synthesized and confirmed by 1H NMR, 13C NMR, and Mass spectral analysis. The synthesized compounds (11a–11n) were screened for anticancer activity against three human cancer cell lines, Breast (MCF-7), Lung (A549), and Melanoma (A375). Most of the compounds exhibit moderate to potent anticancer activity. Among the compounds, 11g, 11h, 11l, 11m, and 11n showed more potent activity than the positive control Doxorubicin. In addition, compounds 11g, 11l, 11m, and 11n were carried out their molecular docking studies on EGFR receptor (PDB ID: 4hjo) and results indicated that 11g and 11l have strong binding interactions with the receptor. It was found that the binding energy calculations were in good agreement with the observed IC50 values. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full text from SpringerLink