Synthesis, docking and in vitro anticancer evaluation of some new benzopyrone derivatives
| Autor: | Doaa E. Abdel Rahman, Lina M. A. Abdel Ghany, Mohammed M. Hussein, Sohair L. El-Ansary |
|---|---|
| Rok vydání: | 2013 |
| Předmět: |
Cell Survival
Antineoplastic Agents Pharmacology Biochemistry Structure-Activity Relationship Cell Line Tumor Drug Discovery Humans Binding site Casein Kinase II Molecular Biology Protein Kinase Inhibitors Cell Proliferation chemistry.chemical_classification Binding Sites Effector Organic Chemistry In vitro Benzoxazines Protein Structure Tertiary Molecular Docking Simulation Enzyme chemistry Cell culture Docking (molecular) Pyrones Casein kinase 2 Drug Screening Assays Antitumor Benzopyrone |
| Zdroj: | Bioorganic chemistry. 53 |
| ISSN: | 1090-2120 |
| Popis: | The synthesis of some new 3-alkyl-7-hydroxy-4-methyl-8-substituted-1H-benzopyran-2-ones, 6-alkyl-7-methyl-2-substituted amino-5H-pyrano[6,5-e] benzoxazol-5-ones, 7-alkyl-8-methyl-3-substituted-2,6-dihydropyrano[6,5-f]-1,4-benzoxazin-6-ones, 7,8-disubstituted-3-ethyl-4-methyl-1H-benzopyran-2-ones and 3-alkyl-4-methyl-7-substituted-1H-benzopyran-2-ones were described. Fourteen compounds were selected by National Cancer Institute (NCI), Bethesda, and evaluated for their in vitro anticancer activity in the full NCI 60 cell lines panel assay by a single dose test. Compounds 4a, 18a, 18b and 23a were found to be broad-spectrum antitumors showing effectiveness toward numerous cell lines that belong to different tumor subpanels. Furthermore, docking studies were undertaken to gain insight into the possible binding mode of these compounds with the binding site of the casein kinase II (CK2) enzyme which is involved in cell survival and proliferation through a number of downstream effectors. |
| Databáze: | OpenAIRE |
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