| Autor: |
Said Byadi, Bimoussa Abdoullah, Mourad Fawzi, Ezaddine Irrou, Younesse Ait Elmachkouri, Ali Oubella, Aziz Auhmani, Hamid Morjani, Mohamed Labd Taha, Anthony Robert, Aziz Aboulmouhajir, Moulay Youssef Ait Itto |
| Rok vydání: |
2023 |
| Předmět: |
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| DOI: |
10.6084/m9.figshare.23267715.v1 |
| Popis: |
A database of 300 compounds was virtually screened and docked against Bcl-2 protein; the stability of the best-formed complex was evaluated through Molecular dynamics, the top ten compounds with the best in-silico complexation affinities were synthesized, and their In-vitro cytotoxic activity was examined. Thiazolidinone (4e) and isoxazoline (4a-d) were evaluated in-silico. For further evaluation and examination, we designed and synthesized from naturally occurring (R)-carvone and characterized it via spectroscopic analysis, as well as tested for their anticancer activities towards human cancer cell lines such as HT-1080 (fibrosarcome cancer), MCF-7 and MDA-MB-231 (breast cancer) and A-549 (lung cancer) by using MTT method with Doxorubicin as standard drug. Among them, compound 4d showed the most promising anticancer activity against HT-1080, A-549, MCF-7, and MDA-MB-231 cell lines with IC50 values of 15.59 ± 3.21 µM; 18.32 ± 2.73 µM; 17.28 ± 0.33 µM and 19.27 ± 2.73 µM respectively. Communicated by Ramaswamy H. Sarma |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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