Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease
Abstract Background The main protease (Mpro) is a crucial target for severe acute respiratory syndrome coronavirus (SARS-CoV-2). Chitooligosaccharide (CS) has broad-spectrum antiviral activity and can effectively inhibit the activity of SARS-CoV. Here, based on the high homology between SARS-CoV-2 a...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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American Association for the Advancement of Science (AAAS)
2023-02-01
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| Series: | Biomaterials Research |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s40824-023-00351-4 |
| _version_ | 1797280546997403648 |
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| author | Qian Wang Yuanyuan Song Mungu Kim Sei Kwang Hahn Ge Jiang |
| author_facet | Qian Wang Yuanyuan Song Mungu Kim Sei Kwang Hahn Ge Jiang |
| author_sort | Qian Wang |
| collection | DOAJ |
| description | Abstract Background The main protease (Mpro) is a crucial target for severe acute respiratory syndrome coronavirus (SARS-CoV-2). Chitooligosaccharide (CS) has broad-spectrum antiviral activity and can effectively inhibit the activity of SARS-CoV. Here, based on the high homology between SARS-CoV-2 and SARS-CoV, this study explores the effect and mechanism of CS with various molecular weights on the activity of SARS-CoV-2 Mpro. Methods We used fluorescence resonance energy transfer (FRET), UV–Vis, synchronous fluorescence spectroscopy, circular dichroism (CD) spectroscopy and computational simulation to investigate the molecular interaction and the interaction mechanism between CS and SARS-CoV-2 Mpro. Results Four kinds of CS with different molecular weights significantly inhibited the activity of Mpro by combining the hydrogen bonding and the salt bridge interaction to form a stable complex. Glu166 appeared to be the key amino acid. Among them, chitosan showed the highest inhibition effect on Mpro enzyme activity and the greatest impact on the spatial structure of protein. Chitosan would be one of the most potential anti-viral compounds. Conclusion This study provides the theoretical basis to develop targeted Mpro inhibitors for the screening and application of anti-novel coronavirus drugs. |
| first_indexed | 2024-03-07T16:41:48Z |
| format | Article |
| id | doaj.art-e61c5f2a2fc84979b661b149878d7f3b |
| institution | Directory Open Access Journal |
| issn | 2055-7124 |
| language | English |
| last_indexed | 2024-03-07T16:41:48Z |
| publishDate | 2023-02-01 |
| publisher | American Association for the Advancement of Science (AAAS) |
| record_format | Article |
| series | Biomaterials Research |
| spelling | doaj.art-e61c5f2a2fc84979b661b149878d7f3b2024-03-03T07:57:45ZengAmerican Association for the Advancement of Science (AAAS)Biomaterials Research2055-71242023-02-0127111010.1186/s40824-023-00351-4Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main proteaseQian Wang0Yuanyuan Song1Mungu Kim2Sei Kwang Hahn3Ge Jiang4Bioengineering College, Dalian UniversityBioengineering College, Dalian UniversityDepartment of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH)Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH)Bioengineering College, Dalian UniversityAbstract Background The main protease (Mpro) is a crucial target for severe acute respiratory syndrome coronavirus (SARS-CoV-2). Chitooligosaccharide (CS) has broad-spectrum antiviral activity and can effectively inhibit the activity of SARS-CoV. Here, based on the high homology between SARS-CoV-2 and SARS-CoV, this study explores the effect and mechanism of CS with various molecular weights on the activity of SARS-CoV-2 Mpro. Methods We used fluorescence resonance energy transfer (FRET), UV–Vis, synchronous fluorescence spectroscopy, circular dichroism (CD) spectroscopy and computational simulation to investigate the molecular interaction and the interaction mechanism between CS and SARS-CoV-2 Mpro. Results Four kinds of CS with different molecular weights significantly inhibited the activity of Mpro by combining the hydrogen bonding and the salt bridge interaction to form a stable complex. Glu166 appeared to be the key amino acid. Among them, chitosan showed the highest inhibition effect on Mpro enzyme activity and the greatest impact on the spatial structure of protein. Chitosan would be one of the most potential anti-viral compounds. Conclusion This study provides the theoretical basis to develop targeted Mpro inhibitors for the screening and application of anti-novel coronavirus drugs.https://doi.org/10.1186/s40824-023-00351-4SARS-CoV-2MproChitooligosaccharideSpectroscopyMolecular docking |
| spellingShingle | Qian Wang Yuanyuan Song Mungu Kim Sei Kwang Hahn Ge Jiang Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease Biomaterials Research SARS-CoV-2 Mpro Chitooligosaccharide Spectroscopy Molecular docking |
| title | Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease |
| title_full | Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease |
| title_fullStr | Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease |
| title_full_unstemmed | Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease |
| title_short | Effect of chitooligosaccharide on the inhibition of SARS-CoV-2 main protease |
| title_sort | effect of chitooligosaccharide on the inhibition of sars cov 2 main protease |
| topic | SARS-CoV-2 Mpro Chitooligosaccharide Spectroscopy Molecular docking |
| url | https://doi.org/10.1186/s40824-023-00351-4 |
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