Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect
Sesamol has moved into biomedical research in recent years. However, its interactions with blood proteins and cancer cells have not been fully explored. Therefore, we aimed to investigate the interaction of sesamol with human serum albumin (HSA), A549 human nonsmall cell lung cancer (NSCLC) cell lin...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2022-08-01
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| Series: | Arabian Journal of Chemistry |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S187853522200257X |
| _version_ | 1817987664814538752 |
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| author | Liya Hu Hong Cao Bangshun He Lijun Zheng Ruichao Li |
| author_facet | Liya Hu Hong Cao Bangshun He Lijun Zheng Ruichao Li |
| author_sort | Liya Hu |
| collection | DOAJ |
| description | Sesamol has moved into biomedical research in recent years. However, its interactions with blood proteins and cancer cells have not been fully explored. Therefore, we aimed to investigate the interaction of sesamol with human serum albumin (HSA), A549 human nonsmall cell lung cancer (NSCLC) cell line, and Raw 264.7 macrophage. The interaction of HSA with sesamol was explored via application of fluorescence and circular dichroism (CD) spectroscopy studies as well as molecular docking analysis. Then, the cytotoxic effects of sesamol on A549 lung cancer cells and Raw 264.7 macrophages were evaluated by qPCR analysis. It was found that sesamol spontaneously (ΔG˚=-45.89 kJ/mol) binds with HSA having a high affinity (log Kb = 8.05, n = 1.70, T = 298 K) and form a static complex trough contribution of hydrogen bonds and van der Waals interactions (ΔH˚=-409.43 kJ/mol, TΔS˚=-363.54 kJ/mol) which was supported by molecular docking study. Furthermore, by using CD and synchronous fluorescence spectroscopy analyses it was found that sesamol induced some minor secondary and tertiary structural changes, respectively in HSA structure. Cellular assays displayed that sesamol triggered selective cytotoxicity against A549 lung cancer cells through regulation of intrinsic apoptosis pathway mediated by mitigation of mitochondrial membrane potential, elevation of ROS generation, downregulation of Bax, and up regulation of caspase-9, −3. In conclusion, it was found that sesamol could show high affinity with HSA and mediate intrinsic apoptosis pathway through ROS generation in the A549 lung cancer cell lines. These data indicate that the biochemical and anticancer mechanisms of sesamol can be further investigated in future studies to integrate it in the biomedical platforms. |
| first_indexed | 2024-04-14T00:24:49Z |
| format | Article |
| id | doaj.art-f6ab6ada111749e6bf7db1179f8b4994 |
| institution | Directory Open Access Journal |
| issn | 1878-5352 |
| language | English |
| last_indexed | 2024-04-14T00:24:49Z |
| publishDate | 2022-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Arabian Journal of Chemistry |
| spelling | doaj.art-f6ab6ada111749e6bf7db1179f8b49942022-12-22T02:22:48ZengElsevierArabian Journal of Chemistry1878-53522022-08-01158103941Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effectLiya Hu0Hong Cao1Bangshun He2Lijun Zheng3Ruichao Li4Geriatric Department of Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, ChinaGeriatric Department of Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, ChinaOncology Department of Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, ChinaGeriatric Department of Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, ChinaGeriatric Department of Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China; Corresponding author at: Department of General Medicine, Tongji Hospital, Tongji Medical College, Huazhong University of Science and Technology, NO.1095, Jiefang Avenue, Wuhan 430030, China.Sesamol has moved into biomedical research in recent years. However, its interactions with blood proteins and cancer cells have not been fully explored. Therefore, we aimed to investigate the interaction of sesamol with human serum albumin (HSA), A549 human nonsmall cell lung cancer (NSCLC) cell line, and Raw 264.7 macrophage. The interaction of HSA with sesamol was explored via application of fluorescence and circular dichroism (CD) spectroscopy studies as well as molecular docking analysis. Then, the cytotoxic effects of sesamol on A549 lung cancer cells and Raw 264.7 macrophages were evaluated by qPCR analysis. It was found that sesamol spontaneously (ΔG˚=-45.89 kJ/mol) binds with HSA having a high affinity (log Kb = 8.05, n = 1.70, T = 298 K) and form a static complex trough contribution of hydrogen bonds and van der Waals interactions (ΔH˚=-409.43 kJ/mol, TΔS˚=-363.54 kJ/mol) which was supported by molecular docking study. Furthermore, by using CD and synchronous fluorescence spectroscopy analyses it was found that sesamol induced some minor secondary and tertiary structural changes, respectively in HSA structure. Cellular assays displayed that sesamol triggered selective cytotoxicity against A549 lung cancer cells through regulation of intrinsic apoptosis pathway mediated by mitigation of mitochondrial membrane potential, elevation of ROS generation, downregulation of Bax, and up regulation of caspase-9, −3. In conclusion, it was found that sesamol could show high affinity with HSA and mediate intrinsic apoptosis pathway through ROS generation in the A549 lung cancer cell lines. These data indicate that the biochemical and anticancer mechanisms of sesamol can be further investigated in future studies to integrate it in the biomedical platforms.http://www.sciencedirect.com/science/article/pii/S187853522200257XSesamolHuman serum albuminInteractionLung cancer cells |
| spellingShingle | Liya Hu Hong Cao Bangshun He Lijun Zheng Ruichao Li Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect Arabian Journal of Chemistry Sesamol Human serum albumin Interaction Lung cancer cells |
| title | Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect |
| title_full | Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect |
| title_fullStr | Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect |
| title_full_unstemmed | Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect |
| title_short | Exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect |
| title_sort | exploring the interaction of sesamol as an antilung cancer compound with albumin through spectroscopic and bioinformatic analyses and the mechanism of anticancer effect |
| topic | Sesamol Human serum albumin Interaction Lung cancer cells |
| url | http://www.sciencedirect.com/science/article/pii/S187853522200257X |
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