Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach
Owing to the instability of Epigallocatechin Gallate (EGCG), it may undergo auto-oxidation and form oxidised products or dimers. In the present study, we aimed to evaluate the therapeutic effects, including antioxidation and immunomodulatory action, of the Oxidised Epigallocatechin Gallate (O-EGCG)...
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| Format: | Article |
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MDPI AG
2022-01-01
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| Series: | Antioxidants |
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| Online Access: | https://www.mdpi.com/2076-3921/11/2/294 |
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| author | Ramakrishna Ungarala Manne Munikumar Sukesh Narayan Sinha Dileshwar Kumar R. Shyam Sunder Suresh Challa |
| author_facet | Ramakrishna Ungarala Manne Munikumar Sukesh Narayan Sinha Dileshwar Kumar R. Shyam Sunder Suresh Challa |
| author_sort | Ramakrishna Ungarala |
| collection | DOAJ |
| description | Owing to the instability of Epigallocatechin Gallate (EGCG), it may undergo auto-oxidation and form oxidised products or dimers. In the present study, we aimed to evaluate the therapeutic effects, including antioxidation and immunomodulatory action, of the Oxidised Epigallocatechin Gallate (O-EGCG) as compared to native EGCG and the action of these compounds on main protease (M<sup>pro</sup>) docking against SARS-CoV-2. HCT-116 (Human Colon Cancer) cell lines were used to estimate the total antioxidant capacity and lipid peroxidation levels and pro-inflammatory markers (human IL-6, IL-1β, TNF-α). Further, molecular docking analysis was performed by AutoDock and visualised in Discovery studio. Improved antioxidant capacity of O-EGCG was observed, and there was a significant decrease in the inflammatory markers (IL-1β, IL-6, and TNF-α) when O-EGCG was applied as compared to EGCG. The O-EGCG was shown to be strongly associated with the highest docking score and active site residues of IL-1, IL-6, and TNF- α, as well as the M<sup>pro</sup> of SARS-CoV-2, according to in silico approach. The in vitro and in silico analyses indicate an improved therapeutic action of the oxidised form of EGCG. The effective inhibitory action of O-EGCG against SARS-CoV-2 suggests further exploration of the compound against COVID-19 and its efficacy. However, in vivo studies and understanding of the mechanism of action of O-EGCG may yield a better opinion on the use of O-EGCG and future human clinical trials. |
| first_indexed | 2024-03-09T22:44:23Z |
| format | Article |
| id | doaj.art-3f95d4c1eed94b5a9cfe5206c13b31ec |
| institution | Directory Open Access Journal |
| issn | 2076-3921 |
| language | English |
| last_indexed | 2024-03-09T22:44:23Z |
| publishDate | 2022-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Antioxidants |
| spelling | doaj.art-3f95d4c1eed94b5a9cfe5206c13b31ec2023-11-23T18:31:31ZengMDPI AGAntioxidants2076-39212022-01-0111229410.3390/antiox11020294Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico ApproachRamakrishna Ungarala0Manne Munikumar1Sukesh Narayan Sinha2Dileshwar Kumar3R. Shyam Sunder4Suresh Challa5Food Safety Division, ICMR- National Institute of Nutrition, Tarnaka, Hyderabad, Telangana 500007, IndiaClinical Division, ICMR- National Institute of Nutrition, Tarnaka, Hyderabad, Telangana 500007, IndiaFood Safety Division, ICMR- National Institute of Nutrition, Tarnaka, Hyderabad, Telangana 500007, IndiaFood Safety Division, ICMR- National Institute of Nutrition, Tarnaka, Hyderabad, Telangana 500007, IndiaUniversity College of Technology, Osmania University, Tarnaka, Hyderabad, Telangana 500007, IndiaCell Biology Division, ICMR- National Institute of Nutrition, Tarnaka, Hyderabad, Telangana 500007, IndiaOwing to the instability of Epigallocatechin Gallate (EGCG), it may undergo auto-oxidation and form oxidised products or dimers. In the present study, we aimed to evaluate the therapeutic effects, including antioxidation and immunomodulatory action, of the Oxidised Epigallocatechin Gallate (O-EGCG) as compared to native EGCG and the action of these compounds on main protease (M<sup>pro</sup>) docking against SARS-CoV-2. HCT-116 (Human Colon Cancer) cell lines were used to estimate the total antioxidant capacity and lipid peroxidation levels and pro-inflammatory markers (human IL-6, IL-1β, TNF-α). Further, molecular docking analysis was performed by AutoDock and visualised in Discovery studio. Improved antioxidant capacity of O-EGCG was observed, and there was a significant decrease in the inflammatory markers (IL-1β, IL-6, and TNF-α) when O-EGCG was applied as compared to EGCG. The O-EGCG was shown to be strongly associated with the highest docking score and active site residues of IL-1, IL-6, and TNF- α, as well as the M<sup>pro</sup> of SARS-CoV-2, according to in silico approach. The in vitro and in silico analyses indicate an improved therapeutic action of the oxidised form of EGCG. The effective inhibitory action of O-EGCG against SARS-CoV-2 suggests further exploration of the compound against COVID-19 and its efficacy. However, in vivo studies and understanding of the mechanism of action of O-EGCG may yield a better opinion on the use of O-EGCG and future human clinical trials.https://www.mdpi.com/2076-3921/11/2/294EGCGoxidised EGCGantioxidantinflammatorymolecular dockingSARS-CoV-2 |
| spellingShingle | Ramakrishna Ungarala Manne Munikumar Sukesh Narayan Sinha Dileshwar Kumar R. Shyam Sunder Suresh Challa Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach Antioxidants EGCG oxidised EGCG antioxidant inflammatory molecular docking SARS-CoV-2 |
| title | Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach |
| title_full | Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach |
| title_fullStr | Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach |
| title_full_unstemmed | Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach |
| title_short | Assessment of Antioxidant, Immunomodulatory Activity of Oxidised Epigallocatechin-3-Gallate (Green Tea Polyphenol) and Its Action on the Main Protease of SARS-CoV-2—An In Vitro and In Silico Approach |
| title_sort | assessment of antioxidant immunomodulatory activity of oxidised epigallocatechin 3 gallate green tea polyphenol and its action on the main protease of sars cov 2 an in vitro and in silico approach |
| topic | EGCG oxidised EGCG antioxidant inflammatory molecular docking SARS-CoV-2 |
| url | https://www.mdpi.com/2076-3921/11/2/294 |
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