Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives
The latest research has indicated that anti-tumor agents with COX-2 inhibitory activity may benefit their anti-tumor efficiency. A series of sclerotiorin derivatives have been synthesized and screened for their cytotoxic activity against human lung cancer cells A549, breast cancer cells MDA-MB-435 u...
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MDPI AG
2020-12-01
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| Series: | Marine Drugs |
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| Online Access: | https://www.mdpi.com/1660-3397/19/1/12 |
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| author | Tao Chen Yun Huang Junxian Hong Xikang Wei Fang Zeng Jialin Li Geting Ye Jie Yuan Yuhua Long |
| author_facet | Tao Chen Yun Huang Junxian Hong Xikang Wei Fang Zeng Jialin Li Geting Ye Jie Yuan Yuhua Long |
| author_sort | Tao Chen |
| collection | DOAJ |
| description | The latest research has indicated that anti-tumor agents with COX-2 inhibitory activity may benefit their anti-tumor efficiency. A series of sclerotiorin derivatives have been synthesized and screened for their cytotoxic activity against human lung cancer cells A549, breast cancer cells MDA-MB-435 using the MTT method. Among them, compounds <b>3</b>, <b>7</b>, <b>12</b>, <b>13</b>, <b>15</b>, <b>17</b> showed good cytotoxic activity with IC<sub>50</sub> values of 6.39, 9.20, 9.76, 7.75, 9.08, and 8.18 μM, respectively. In addition, all compounds were tested in vitro the COX-2 inhibitory activity. The results disclosed compounds <b>7</b>, <b>13</b>, <b>25</b> and sclerotiorin showed moderate to good COX-2 inhibition with the inhibitory ratios of 58.7%, 51.1%, 66.1% and 56.1%, respectively. Notably, compound <b>3</b> displayed a comparable inhibition ratio (70.6%) to the positive control indomethacin (78.9%). Furthermore, molecular docking was used to rationalize the potential of the sclerotiorin derivatives as COX2 inhibitory agents by predicting their binding energy, binding modes and optimal orientation at the active site of the COX-2. Additionally, the structure-activity relationships (SARS) have been addressed. |
| first_indexed | 2024-03-10T13:41:51Z |
| format | Article |
| id | doaj.art-956e526d086a40afbe92c0ca9d79eb31 |
| institution | Directory Open Access Journal |
| issn | 1660-3397 |
| language | English |
| last_indexed | 2024-03-10T13:41:51Z |
| publishDate | 2020-12-01 |
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| record_format | Article |
| series | Marine Drugs |
| spelling | doaj.art-956e526d086a40afbe92c0ca9d79eb312023-11-21T02:59:09ZengMDPI AGMarine Drugs1660-33972020-12-011911210.3390/md19010012Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin DerivativesTao Chen0Yun Huang1Junxian Hong2Xikang Wei3Fang Zeng4Jialin Li5Geting Ye6Jie Yuan7Yuhua Long8School of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaDepartment of Biochemistry, Zhongshan School of Medicine, Sun Yat-sen University, Guangzhou 510080, ChinaSchool of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaSchool of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaSchool of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaSchool of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaSchool of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaDepartment of Biochemistry, Zhongshan School of Medicine, Sun Yat-sen University, Guangzhou 510080, ChinaSchool of Chemistry, Guangzhou Key Laboratory of Analytical Chemistry for Biomedicine, South China Normal University, Guangzhou 510006, ChinaThe latest research has indicated that anti-tumor agents with COX-2 inhibitory activity may benefit their anti-tumor efficiency. A series of sclerotiorin derivatives have been synthesized and screened for their cytotoxic activity against human lung cancer cells A549, breast cancer cells MDA-MB-435 using the MTT method. Among them, compounds <b>3</b>, <b>7</b>, <b>12</b>, <b>13</b>, <b>15</b>, <b>17</b> showed good cytotoxic activity with IC<sub>50</sub> values of 6.39, 9.20, 9.76, 7.75, 9.08, and 8.18 μM, respectively. In addition, all compounds were tested in vitro the COX-2 inhibitory activity. The results disclosed compounds <b>7</b>, <b>13</b>, <b>25</b> and sclerotiorin showed moderate to good COX-2 inhibition with the inhibitory ratios of 58.7%, 51.1%, 66.1% and 56.1%, respectively. Notably, compound <b>3</b> displayed a comparable inhibition ratio (70.6%) to the positive control indomethacin (78.9%). Furthermore, molecular docking was used to rationalize the potential of the sclerotiorin derivatives as COX2 inhibitory agents by predicting their binding energy, binding modes and optimal orientation at the active site of the COX-2. Additionally, the structure-activity relationships (SARS) have been addressed.https://www.mdpi.com/1660-3397/19/1/12sclerotiorin derivativescytotoxic activityCOX-2 inhibitionmolecular docking |
| spellingShingle | Tao Chen Yun Huang Junxian Hong Xikang Wei Fang Zeng Jialin Li Geting Ye Jie Yuan Yuhua Long Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives Marine Drugs sclerotiorin derivatives cytotoxic activity COX-2 inhibition molecular docking |
| title | Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives |
| title_full | Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives |
| title_fullStr | Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives |
| title_full_unstemmed | Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives |
| title_short | Preparation, COX-2 Inhibition and Anticancer Activity of Sclerotiorin Derivatives |
| title_sort | preparation cox 2 inhibition and anticancer activity of sclerotiorin derivatives |
| topic | sclerotiorin derivatives cytotoxic activity COX-2 inhibition molecular docking |
| url | https://www.mdpi.com/1660-3397/19/1/12 |
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