Niosomes as promising approach for enhancing the cytotoxicity of Hemimycale sp. total crude extract supported with in-silico studies

The crude extract of Hemimycale sp. marine sponge was evaluated as a cytotoxic drug against different cell lines; whereas it exhibited promising selective activity toward the breast cancer cell line only with IC 50 value 199.6 ± 0.00512 µg/ml. Moreover, its cytotoxic activity against the breast canc...

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Published in:Scientific reports 2024-01, Vol.14 (1), p.2546-12, Article 2546
Main Authors: Said, Asmaa Abo Elgoud, Mahmoud, Basma Khalaf, Helmy, Abdelrahman M., Mohamed, Nada M., Attia, Eman Zekry, Samy, Mamdouh Nabil, Abdelmohsen, Usama Ramadan, Fouad, Mostafa A.
Format: Article
Language:English
Subjects:
631/92/320
631/92/349
Acetic acid
Breast cancer
Cytotoxicity
Epidermal growth factor receptors
Hemimycale
Humanities and Social Sciences
Ionization
Liquid chromatography
Mass spectrometry
Mass spectroscopy
Metabolomics
multidisciplinary
Protein-tyrosine kinase receptors
Science
Science (multidisciplinary)
Sterols
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Summary:The crude extract of Hemimycale sp. marine sponge was evaluated as a cytotoxic drug against different cell lines; whereas it exhibited promising selective activity toward the breast cancer cell line only with IC 50 value 199.6 ± 0.00512 µg/ml. Moreover, its cytotoxic activity against the breast cancer cell line was reevaluated upon forming total extract-loaded niosomes. This revealed an IC 50 value of 44.35 ± 0.011128 µg/ml, indicating the potential contribution of niosomes in boosting cell penetration and activity as a result. Owing to highlight the bioactive constituents responsible for the cytotoxic activity, metabolomics profiling of Hemimycale sp. was performed using liquid chromatography coupled with high-resolution electrospray ionization mass spectrometry (LC-HR-ESI-MS) revealing tentative identification of phytoconstituents clusters like as, diterpenes, sesterterpenes and sterols. Additionally, the cytotoxic activity of the crude extract was explained on the molecular level, whereas the dereplicated compounds were evaluated in silico against the Epidermal Growth Factor Receptor tyrosine kinase (EGFR). The sesterterpenoid derivatives phorbaketal A acetate (12) and secoepoxy ansellone A (13) together with mycalol-522 (17) showed the best binding energy.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-024-52918-3