Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer
<b>Background</b>: Colon cancer is one of the leading causes of cancer-related deaths today. Crucial research continues for the ideal chemotherapy. In this context, natural compounds of plant origin play an important role in the development of new anticancer drugs. <b>Methods</b...
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2025-06-01
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| author | Eda Sönmez Gürer Zuhal Tunçbilek Cemile Zontul Ahu Kutlay Amrendra Kumar Gaurav Jhaa |
| author_facet | Eda Sönmez Gürer Zuhal Tunçbilek Cemile Zontul Ahu Kutlay Amrendra Kumar Gaurav Jhaa |
| author_sort | Eda Sönmez Gürer |
| collection | DOAJ |
| description | <b>Background</b>: Colon cancer is one of the leading causes of cancer-related deaths today. Crucial research continues for the ideal chemotherapy. In this context, natural compounds of plant origin play an important role in the development of new anticancer drugs. <b>Methods</b>: In this study, the effects of <i>Consolida orientalis</i> ethanol extract (flower parts), <i>Smyrnium rotundifolium</i> ethanol extract (aerial parts), and <i>Euphorbia virgata</i> ethanol extract (aerial parts) samples on HT-29 (human colorectal adenocarcinoma cell line) and healthy CCD-18Co (human normal colon fibroblast cell line) were investigated for the first time in the literature by applying 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) test within the scope of in vitro cytotoxicity analysis. <b>Results</b>: As a result of the study, it was observed that all plant extracts were most effective at 72 h. <i>S. rotundifolium</i> ethanol extract (aerial parts) was found to be the most effective on the HT-29 cell line. Both the higher cell viability of <i>C. orientalis</i> in healthy cells applied to it compared to <i>S. rotundifolium</i> and its effectiveness on colon cancer cell lines make <i>C. orientalis</i> more advantageous. <b>Conclusions</b>: When evaluating the efficacy of extracts on cancer cells, the load on healthy cells should be taken into account. Therefore, <i>C. orientalis</i> ethanol extract (flower parts) was found to have the potential to be a chemotherapeutic agent against colon cancer. Chemical reactivities of the dominant components of bioactive components were analyzed via Conceptual Density Functional Theory-based calculations. The power of the interactions with EGFR kinase of these compounds is checked via Molecular Docking Calculations. It was noted that Chlorogenic acid, which is the most reactive bioactive component, has a stronger binding to the mentioned enzyme. |
| format | Article |
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| institution | DOAJ |
| issn | 1424-8247 |
| language | English |
| publishDate | 2025-06-01 |
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| spelling | doaj-art-bf0b15afbf164efcacfab17fb15c435a2025-08-20T02:47:14ZengMDPI AGPharmaceuticals1424-82472025-06-0118794310.3390/ph18070943Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal CancerEda Sönmez Gürer0Zuhal Tunçbilek1Cemile Zontul2Ahu Kutlay3Amrendra Kumar4Gaurav Jhaa5Department of Pharmacognosy, Faculty of Pharmacy, Sivas Cumhuriyet University, Sivas 58140, TürkiyeDepartment of Chemistry and Chemical Processing Technologies Services, Yıldızeli Vocational School, Sivas 58140, TürkiyeDepartment of Chemistry and Chemical Processing Technologies Services, Yıldızeli Vocational School, Sivas 58140, TürkiyeDepartment of Forestry, Koyulhisar Vocational School, Sivas Cumhuriyet University, Sivas 58140, TürkiyeDepartment of Bioinformatics, NIMS Institute of Allied Medical Science and Technology, NIMS University, Jaipur 303121, Rajasthan, IndiaDepartment of Chemical Sciences, Indian Institute of Science Education and Research (IISER), Mohali 140306, Punjab, India<b>Background</b>: Colon cancer is one of the leading causes of cancer-related deaths today. Crucial research continues for the ideal chemotherapy. In this context, natural compounds of plant origin play an important role in the development of new anticancer drugs. <b>Methods</b>: In this study, the effects of <i>Consolida orientalis</i> ethanol extract (flower parts), <i>Smyrnium rotundifolium</i> ethanol extract (aerial parts), and <i>Euphorbia virgata</i> ethanol extract (aerial parts) samples on HT-29 (human colorectal adenocarcinoma cell line) and healthy CCD-18Co (human normal colon fibroblast cell line) were investigated for the first time in the literature by applying 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide (MTT) test within the scope of in vitro cytotoxicity analysis. <b>Results</b>: As a result of the study, it was observed that all plant extracts were most effective at 72 h. <i>S. rotundifolium</i> ethanol extract (aerial parts) was found to be the most effective on the HT-29 cell line. Both the higher cell viability of <i>C. orientalis</i> in healthy cells applied to it compared to <i>S. rotundifolium</i> and its effectiveness on colon cancer cell lines make <i>C. orientalis</i> more advantageous. <b>Conclusions</b>: When evaluating the efficacy of extracts on cancer cells, the load on healthy cells should be taken into account. Therefore, <i>C. orientalis</i> ethanol extract (flower parts) was found to have the potential to be a chemotherapeutic agent against colon cancer. Chemical reactivities of the dominant components of bioactive components were analyzed via Conceptual Density Functional Theory-based calculations. The power of the interactions with EGFR kinase of these compounds is checked via Molecular Docking Calculations. It was noted that Chlorogenic acid, which is the most reactive bioactive component, has a stronger binding to the mentioned enzyme.https://www.mdpi.com/1424-8247/18/7/943colorectal cancer<i>Consolida orientalis</i>DFT<i>Euphorbia virgata</i><i>Smyrnium rotundifolium</i>molecular docking |
| spellingShingle | Eda Sönmez Gürer Zuhal Tunçbilek Cemile Zontul Ahu Kutlay Amrendra Kumar Gaurav Jhaa Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer Pharmaceuticals colorectal cancer <i>Consolida orientalis</i> DFT <i>Euphorbia virgata</i> <i>Smyrnium rotundifolium</i> molecular docking |
| title | Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer |
| title_full | Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer |
| title_fullStr | Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer |
| title_full_unstemmed | Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer |
| title_short | Evaluation and DFT Analysis of In Vitro Anticancer Activity of <i>Consolida orientalis</i>, <i>Smyrnium rotundifolium</i>, and <i>Euphorbia virgata</i> Plant Extracts in Colorectal Cancer |
| title_sort | evaluation and dft analysis of in vitro anticancer activity of i consolida orientalis i i smyrnium rotundifolium i and i euphorbia virgata i plant extracts in colorectal cancer |
| topic | colorectal cancer <i>Consolida orientalis</i> DFT <i>Euphorbia virgata</i> <i>Smyrnium rotundifolium</i> molecular docking |
| url | https://www.mdpi.com/1424-8247/18/7/943 |
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