Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation
Breast, cervical, and ovarian cancers are among the most serious cancers and the main causes of mortality in females worldwide, necessitating urgent efforts to find newer sources of safe anticancer drugs. The present study aimed to evaluate the anticancer potency of mycoendophytic <i>Alternari...
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MDPI AG
2022-10-01
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| Series: | Current Issues in Molecular Biology |
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| Online Access: | https://www.mdpi.com/1467-3045/44/10/344 |
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| author | Amal A. Al Mousa Mohamed E. Abouelela Abdallah M. A. Hassane Fatimah S. Al-Khattaf Ashraf A. Hatamleh Hadeel S. Alabdulhadi Noura D. Dahmash Nageh F. Abo-Dahab |
| author_facet | Amal A. Al Mousa Mohamed E. Abouelela Abdallah M. A. Hassane Fatimah S. Al-Khattaf Ashraf A. Hatamleh Hadeel S. Alabdulhadi Noura D. Dahmash Nageh F. Abo-Dahab |
| author_sort | Amal A. Al Mousa |
| collection | DOAJ |
| description | Breast, cervical, and ovarian cancers are among the most serious cancers and the main causes of mortality in females worldwide, necessitating urgent efforts to find newer sources of safe anticancer drugs. The present study aimed to evaluate the anticancer potency of mycoendophytic <i>Alternaria tenuissima</i> AUMC14342 ethyl acetate extract on HeLa (cervical cancer), SKOV-3 (ovarian cancer), and MCF-7 (breast adenocarcinoma) cell lines. The extract showed potent effect on MCF-7 cells with an IC50 value of 55.53 μg/mL. Cell cycle distribution analysis of treated MCF-7 cells revealed a cell cycle arrest at the S phase with a significant increase in the cell population (25.53%). When compared to control cells, no significant signs of necrotic or apoptotic cell death were observed. LC-MS/MS analysis of <i>Alternaria tenuissima</i> extract afforded the identification of 20 secondary metabolites, including 7-dehydrobrefeldin A, which exhibited the highest interaction score (−8.0156 kcal/mol) in molecular docking analysis against human aromatase. Regarding ADME pharmacokinetics and drug-likeness properties, 7-dehydrobrefeldin A, 4’-epialtenuene, and atransfusarin had good GIT absorption and water solubility without any violation of drug-likeness rules. These findings support the anticancer activity of bioactive metabolites derived from endophytic fungi and provide drug scaffolds and substitute sources for the future development of safe chemotherapy. |
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| publishDate | 2022-10-01 |
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| series | Current Issues in Molecular Biology |
| spelling | doaj.art-087bd47d96c14697aa2b9f9f042c005e2023-11-23T23:34:20ZengMDPI AGCurrent Issues in Molecular Biology1467-30371467-30452022-10-0144105067508510.3390/cimb44100344Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking SimulationAmal A. Al Mousa0Mohamed E. Abouelela1Abdallah M. A. Hassane2Fatimah S. Al-Khattaf3Ashraf A. Hatamleh4Hadeel S. Alabdulhadi5Noura D. Dahmash6Nageh F. Abo-Dahab7Department of Botany and Microbiology, College of Science, King Saud University, P.O. Box 145111, Riyadh 4545, Saudi ArabiaDepartment of Pharmacognosy, Faculty of Pharmacy, Al-Azhar University, P.O. Box 71524, Assiut 11651, EgyptBotany and Microbiology Department, Faculty of Science, Al-Azhar University, P.O. Box 71524, Assiut 11651, EgyptDepartment of Botany and Microbiology, College of Science, King Saud University, P.O. Box 145111, Riyadh 4545, Saudi ArabiaDepartment of Botany and Microbiology, College of Science, King Saud University, P.O. Box 145111, Riyadh 4545, Saudi ArabiaResearch Assistant Internship Program, Vice Rectorate for Graduate Studies and Scientific Research, King Saud University, Deanship of Scientific Research, Riyadh 4545, Saudi ArabiaDepartment of Botany and Microbiology, College of Science, King Saud University, P.O. Box 145111, Riyadh 4545, Saudi ArabiaBotany and Microbiology Department, Faculty of Science, Al-Azhar University, P.O. Box 71524, Assiut 11651, EgyptBreast, cervical, and ovarian cancers are among the most serious cancers and the main causes of mortality in females worldwide, necessitating urgent efforts to find newer sources of safe anticancer drugs. The present study aimed to evaluate the anticancer potency of mycoendophytic <i>Alternaria tenuissima</i> AUMC14342 ethyl acetate extract on HeLa (cervical cancer), SKOV-3 (ovarian cancer), and MCF-7 (breast adenocarcinoma) cell lines. The extract showed potent effect on MCF-7 cells with an IC50 value of 55.53 μg/mL. Cell cycle distribution analysis of treated MCF-7 cells revealed a cell cycle arrest at the S phase with a significant increase in the cell population (25.53%). When compared to control cells, no significant signs of necrotic or apoptotic cell death were observed. LC-MS/MS analysis of <i>Alternaria tenuissima</i> extract afforded the identification of 20 secondary metabolites, including 7-dehydrobrefeldin A, which exhibited the highest interaction score (−8.0156 kcal/mol) in molecular docking analysis against human aromatase. Regarding ADME pharmacokinetics and drug-likeness properties, 7-dehydrobrefeldin A, 4’-epialtenuene, and atransfusarin had good GIT absorption and water solubility without any violation of drug-likeness rules. These findings support the anticancer activity of bioactive metabolites derived from endophytic fungi and provide drug scaffolds and substitute sources for the future development of safe chemotherapy.https://www.mdpi.com/1467-3045/44/10/344cancer<i>Alternaria tenuissima</i>cytotoxicityLC-MS/MSaromatasemolecular docking |
| spellingShingle | Amal A. Al Mousa Mohamed E. Abouelela Abdallah M. A. Hassane Fatimah S. Al-Khattaf Ashraf A. Hatamleh Hadeel S. Alabdulhadi Noura D. Dahmash Nageh F. Abo-Dahab Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation Current Issues in Molecular Biology cancer <i>Alternaria tenuissima</i> cytotoxicity LC-MS/MS aromatase molecular docking |
| title | Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation |
| title_full | Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation |
| title_fullStr | Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation |
| title_full_unstemmed | Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation |
| title_short | Cytotoxic Potential of <i>Alternaria tenuissima</i> AUMC14342 Mycoendophyte Extract: A Study Combined with LC-MS/MS Metabolic Profiling and Molecular Docking Simulation |
| title_sort | cytotoxic potential of i alternaria tenuissima i aumc14342 mycoendophyte extract a study combined with lc ms ms metabolic profiling and molecular docking simulation |
| topic | cancer <i>Alternaria tenuissima</i> cytotoxicity LC-MS/MS aromatase molecular docking |
| url | https://www.mdpi.com/1467-3045/44/10/344 |
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