Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models
Vascular endothelial growth factor (VEGF), also known as VEGF-A, has been linked to various diseases, such as wet age-related macular degeneration (wAMD) and cancer. Even though there are VEGF inhibitors that are currently commercially available in clinical applications, severe adverse effects have...
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| Format: | Article |
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MDPI AG
2025-01-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/30/2/257 |
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| author | Shengying Lin Roy Wai-Lun Tang Yutong Ye Chenxi Xia Jiahui Wu Ran Duan Ka-Wing Leung Tina Ting-Xia Dong Karl Wah-Keung Tsim |
| author_facet | Shengying Lin Roy Wai-Lun Tang Yutong Ye Chenxi Xia Jiahui Wu Ran Duan Ka-Wing Leung Tina Ting-Xia Dong Karl Wah-Keung Tsim |
| author_sort | Shengying Lin |
| collection | DOAJ |
| description | Vascular endothelial growth factor (VEGF), also known as VEGF-A, has been linked to various diseases, such as wet age-related macular degeneration (wAMD) and cancer. Even though there are VEGF inhibitors that are currently commercially available in clinical applications, severe adverse effects have been associated with these treatments. There is still a need to develop novel VEGF-based therapeutics against these VEGF-related diseases. Here, we established a series of VEGF-based computational docking analyses and cell models, such as a wound healing assay in HaCaT cells and an evaluation of NF-κB performance in macrophages, to screen a large library of flavonoid-type phytochemicals. Three flavonoids, namely, farrerol, ononin and (−)-epicatechin, were shown to express binding affinities to VEGF protein and inhibit VEGF-mediated biological activities. The investigation evidently suggested that the three flavonoids above could be considered potential anti-VEGF agents for the following drug development against VEGF-mediated diseases. |
| format | Article |
| id | doaj-art-30496987ef56478a822cde016c6ad1bf |
| institution | Kabale University |
| issn | 1420-3049 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj-art-30496987ef56478a822cde016c6ad1bf2025-01-24T13:43:17ZengMDPI AGMolecules1420-30492025-01-0130225710.3390/molecules30020257Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell ModelsShengying Lin0Roy Wai-Lun Tang1Yutong Ye2Chenxi Xia3Jiahui Wu4Ran Duan5Ka-Wing Leung6Tina Ting-Xia Dong7Karl Wah-Keung Tsim8Center for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaCenter for Chinese Medicine, Division of Life Science, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, ChinaVascular endothelial growth factor (VEGF), also known as VEGF-A, has been linked to various diseases, such as wet age-related macular degeneration (wAMD) and cancer. Even though there are VEGF inhibitors that are currently commercially available in clinical applications, severe adverse effects have been associated with these treatments. There is still a need to develop novel VEGF-based therapeutics against these VEGF-related diseases. Here, we established a series of VEGF-based computational docking analyses and cell models, such as a wound healing assay in HaCaT cells and an evaluation of NF-κB performance in macrophages, to screen a large library of flavonoid-type phytochemicals. Three flavonoids, namely, farrerol, ononin and (−)-epicatechin, were shown to express binding affinities to VEGF protein and inhibit VEGF-mediated biological activities. The investigation evidently suggested that the three flavonoids above could be considered potential anti-VEGF agents for the following drug development against VEGF-mediated diseases.https://www.mdpi.com/1420-3049/30/2/257computational dockingdrug screeningflavonoidsVEGF inhibitorangiogenesis |
| spellingShingle | Shengying Lin Roy Wai-Lun Tang Yutong Ye Chenxi Xia Jiahui Wu Ran Duan Ka-Wing Leung Tina Ting-Xia Dong Karl Wah-Keung Tsim Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models Molecules computational docking drug screening flavonoids VEGF inhibitor angiogenesis |
| title | Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models |
| title_full | Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models |
| title_fullStr | Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models |
| title_full_unstemmed | Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models |
| title_short | Drug Screening of Flavonoids as Potential VEGF Inhibitors Through Computational Docking and Cell Models |
| title_sort | drug screening of flavonoids as potential vegf inhibitors through computational docking and cell models |
| topic | computational docking drug screening flavonoids VEGF inhibitor angiogenesis |
| url | https://www.mdpi.com/1420-3049/30/2/257 |
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