Virtual screening and assessment of anticancer potential of selenium-based compounds against HL-60 and MCF7 cells
| Autor: | Helivaldo Diógenes da Silva Souza, Marcus Tullius Scotti, Lúcia Cristina Pereira Arruda, João Manoel de Sousa E Silva, Luciana Amaral de Mascena Costa, Manoel Adrião Gomes Filho, Petrônio Figueiras de Athayde Filho, Renata Priscila Costa Barros, José Alixandre de Sousa Luis, Ellen Cordeiro Bento da Silva, Ericka Fernanda Ferreira de Queiroz, Luciana Scotti, Diego de Sousa Dantas |
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| Rok vydání: | 2020 |
| Předmět: |
Programmed cell death
Drug Evaluation Preclinical chemistry.chemical_element Antineoplastic Agents Apoptosis HL-60 Cells 03 medical and health sciences Structure-Activity Relationship 0302 clinical medicine Drug Discovery medicine Tumor Cells Cultured Humans Doxorubicin Cytotoxicity Selenium Compounds 030304 developmental biology Cell Proliferation Pharmacology 0303 health sciences Virtual screening Dose-Response Relationship Drug Molecular Structure chemistry Docking (molecular) Cell culture 030220 oncology & carcinogenesis Cancer research Molecular Medicine Drug Screening Assays Antitumor Selenium medicine.drug |
| Zdroj: | Future medicinal chemistry. 12(24) |
| ISSN: | 1756-8927 |
| Popis: | Aim: Selenium-based compounds have antitumor potential. We used a ligand-based virtual screening analysis to identify selenoglycolicamides with potential antitumor activity. Results & Conclusion: Compounds 3, 6, 7 and 8 were selected for in vitro cytotoxicity tests against various cell lines, according to spectrophotometry results. Compound 3 presented the best cytotoxicity results against a promyelocytic leukemia line (HL-60) and was able to induce cell death at a frequency similar to that observed for doxorubicin. The docking study showed that compound 3 has good interaction energies with the targets caspase-3, 7 and 8, which are components of the apoptotic pathway. These results suggested that selenium has significant pharmacological potential for the selective targeting of tumor cells, inducing molecular and cellular events that culminate in tumor cell death. |
| Databáze: | OpenAIRE |
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