التفاصيل البيبلوغرافية
| العنوان: |
Phytochemical Identification and Assessment of Amberboa ramosa Mediated Inhibition of Microtubule and EGFR Associated Growth and Metastasis of Breast Cancer Cells: In Vitro and In Silico Perspective. |
| المؤلفون: |
Nath, Virendra, Bhatnagar, Aayushi, Kumar, Harish, Chandravanshi, Anil Kumar, Sharma, Ankit, Mandal, Chandi C., Kumar, Vipin |
| المصدر: |
Journal of Computational Biophysics & Chemistry; Sep2024, Vol. 23 Issue 7, p851-867, 17p |
| مصطلحات موضوعية: |
METASTATIC breast cancer, TUBULINS, BIOACTIVE compounds, CELL migration, BREAST cancer |
| مستخلص: |
Amberboa ramosa Roxb. (Asteraceae), commonly known as "Badaward", has been used for the treatment of tumors from ancient times. In this study, we aimed to scientifically authenticate the use of A. ramosa for breast cancer treatment. The whole plant fractions of A. ramosa were evaluated for their cytotoxic properties against MDA-MB-231 breast cancer cell lines. Among these fractions, Pet. ether, ethyl acetate, and ethanolic fractions exhibited considerable levels of cytotoxicity against MDA-MB-231 cells with IC 5 0 values of 78.55, 90.60, and 92.92 μ g/mL, respectively. The cell migration significantly decreased in ethyl acetate and ethanolic fractions. GC–MS was used to analyze the phytochemical profile of bioactive fractions, which revealed the presence of long-chain hydrocarbons, carboxylic acids, esters, alcohols, and terpenoids. Subsequently, the 96 compounds present in bioactive fractions were efficiently docked with EGFR and microtubule protein to evaluate affinity towards the targets. Eight common compounds were achieved using a docking-based approach against both target proteins, which showed similar interaction patterns as the reference inhibitors (colchicine and erlotinib). The key interactions revealed the potential of screened compounds as promising hits. 2-[1,2-Dihydroxyethyl]-9-[ α -d-ribofuranosyl]hypoxanthine showed the best dock score of −9.337 and −8.548 kcal/mol against EGFR and microtubule, respectively. 5-Oxo-cystofuranoquinol exhibited better dock score as well as binding energy against both targets. Chemical features present in the 08 dual inhibitors were also matched from the present EGFR and microtubule inhibitors for comparing the anticancer potential. Thus, this research revealed many new directions for developing natural lead compounds from Amberboa ramosa as dual inhibitors for treating breast cancer. GCMS-based phytochemical profiling and in-vitro anticancer activity were performed on the fractions of A. ramosa whole plant extract. Further, in silico assessment of the phytoconstituents from the top fraction highlighted their potential as EGFR and microtubule inhibitors. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
