Analysis on the medication rule of traditional Chinese medicine in the treatment of COVID-19 patients

Tan, Xiaoyu; Yang, Qingqing; Cai, Xianming; Tao, Yiming; Gao, Suyu; He, Lixia; Zhao, Yubin; Zhan, Siyan; Cheng, Hong; Song, Haibo; Sun, Feng

doi:10.1097/hm9.0000000000000030

Cited by 6 publications

(4 citation statements)

References 17 publications

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“…COVID‐19 is a high‐mortality disease, with fever, cough, and dyspnea being common symptoms (Sohrabi et al, 2020). It is highly infectious and pathogenic (Chen, 2020), and its worldwide spread has been exponential due to the scarcity of selective targeted therapies and vaccination strategies (Guanyuan et al, 2021; Tan et al, 2021). Hence, it is imperative to investigate and develop alternative natural antiviral products that can inhibit SARS‐CoV‐2 infection.…”

Section: Discussionmentioning

confidence: 99%

Luteolin inhibits spike protein of severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) binding to angiotensin‐converting enzyme 2

Zhu,

Yan,

Shi

et al. 2023

Phytotherapy Research

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Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) causes coronavirus disease 2019 (COVID‐19), a respiratory illness that poses a serious threat to global public health. In an essential step during infection, SARS‐CoV‐2 uses the receptor‐binding domain (RBD) of the spike (S) protein to engage with angiotensin‐converting enzyme 2 (ACE2) in host cells. Chinese herbal medicines and their active components exhibit antiviral activity, with luteolin being a flavonoid that can significantly inhibit SARS‐CoV infection. However, whether it can block the interaction between the S‐protein RBD of SARS‐CoV‐2 and ACE2 has not yet been elucidated. Here, we investigated the effects of luteolin on the binding of the S‐protein RBD to ACE2. By employing a competitive binding assay in vitro, we found that luteolin significantly blocked the binding of S‐protein RBD to ACE2 with IC50 values of 0.61 mM, which was confirmed by the neutralized infection with SARS‐CoV‐2 pseudovirus in vivo. A surface plasmon resonance‐based competition assay revealed that luteolin significantly affects the binding of the S‐protein RBD to the ACE2 receptor. Molecular docking was performed to predict the binding sites of luteolin to the S‐protein RBD‐ACE2 complex. The active binding sites were defined based on published literature, and we found that luteolin might interfere with the mixture at residues including LYS353, ASP30, and TYR83 in the cellular ACE2 receptor and GLY496, GLN498, TYR505, LEU455, GLN493, and GLU484 in the S‐protein RBD. These residues may together form attractive charges and destroy the stable interaction of S‐protein RBD‐ACE2. Luteolin also inhibits SARS‐CoV‐2 spike protein‐induced platelet spreading, thereby inhibiting the binding of the spike protein to ACE2. Our results are the first to provide evidence that luteolin is an anti‐SARS‐CoV‐2 agent associated with interference between viral S‐protein RBD‐ACE2 interactions.

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Section: Discussionmentioning

confidence: 99%

Luteolin inhibits spike protein of severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) binding to angiotensin‐converting enzyme 2

Zhu,

Yan,

Shi

et al. 2023

Phytotherapy Research

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“…The vaccines, as the first line against the virus, exhibited the unsatisfactorily protective effect when patients were exposed to mutant strains, whose safety and efficacy remain to be elucidated. Whether fighting against SARS-CoV-2 or Omicron strains, the TCMs show an evidently therapeutic effect, which may be a gold mine for antiviral drugs discovery [ 44 , 45 ]. XFBD is recommended for the treatment of COVID-19 in China and also approved in Canada, Uzbekistan, and so on.…”

Section: Discussionmentioning

confidence: 99%

Discovery and evaluation of active compounds from Xuanfei Baidu formula against COVID-19 via SARS-CoV-2 Mpro

Zhang,

Liu,

Zhao

et al. 2023

Chin Med

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Background The coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) is still a widespread concern. As one of the effective traditional Chinese medicine (TCM) formulae, Xuanfei Baidu formula (XFBD) shows significant efficacy for treatment of COVID-19 patients. However, its antiviral active compounds and mechanism are still unclear. Purpose In this study, we explored the bioactive compounds of XFBD and its antiviral mechanism by integrating computational analysis and experimental testing. Methods Focusing on the SARS-CoV-2 main protease (Mpro), as a key target in virus transcription and replication, the fluorescence resonance energy transfer (FRET) assay was built to screen out satisfactory natural inhibitors in XFBD. The surface plasmon resonance (SPR) and isothermal titration calorimetry (ITC) were undertaken to verify the binding affinity of ligand-Mpro. Omicron BA.1.1 and BA.2.3 variants were used to evaluate the antiviral activity of the focused compounds in non-cytotoxicity concentrations. For introducing the molecular mechanism, computational modeling and NMR spectra were employed to characterize the ligand-binding modes and identify the ligand-binding site on Mpro. Results From a library of 83 natural compounds, acteoside, licochalcone B, licochalcone D, linoleic acid, and physcion showed the satisfactory inhibition effects on Mpro with IC50 ranging from 1.93 to 42.96 µM, which were further verified by SPR. Showing the excellent binding affinity, acteoside was witnessed to gain valuable insights into the thermodynamic signatures by ITC and presented antiviral activity on Omicron BA.1.1 and BA.2.3 variants in vitro. The results revealed that acteoside inhibited Mpro via forming the hydrogen bond between 7-H of acteoside and Mpro. Conclusion Acteoside is regarded as a representative active natural compound in XFBD to inhibit replication of SARS-CoV-2, which provides the antiviral evidence and some insights into the identification of SARS-CoV-2 Mpro natural inhibitors. Graphical Abstract

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“…The vaccines, as the rst line against the virus, unsatisfactorily exhibited the protective effect when patients were exposed to mutant strains, whose safety and e cacy remain to be elucidated. Whether ghting against SARS-CoV-2 or Omicron strains, the TCM shows an evidently therapeutic effect, which may be a gold mine for antiviral drugs discovery [39,40]. XFBD is recommended for the treatment of COVID-19 in China and also approved in Canada, Uzbekistan, and so on.…”

Section: Discussionmentioning

confidence: 99%

Discovery and evaluation of active compounds from Xuanfei Baidu Formula against COVID-19 via SARS-Cov-2 Mpro

Zhang

Liu

Zhao

et al. 2023

Preprint

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Background The coronavirus disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus (SARS-CoV-2) is still a widespread concern. As one of the effective traditional Chinese medicine (TCM) formula, Xuanfei Baidu formula (XFBD) shows significant efficacy for treatment of COVID-19 patients. However, its antiviral compounds and mechanism are still unclear. Purpose: In this study, we explored the bioactive compounds of XFBD and its antiviral mechanism by integrating computational analysis and experimental testing. Methods Aiming at the SARS-CoV-2 main protease (Mpro), as a key target in virus replication, the fluorescence resonance energy transfer (FRET) assay was built to screen out satisfactory natural inhibitors from XFBD. The surface plasmon resonance (SPR) and isothermal titration calorimetry (ITC) were undertaken to verify the binding affinity of Mpro-ligand. Omicron BA.1.1 and BA.2 variants were used to evaluate the antiviral activity of the focused compounds in non-cytotoxicity concentrations. For introducing the molecular mechanism, computational modeling and NMR spectra were employed to predict the binding mode and binding site of Mpro-ligand. Results From a library of 83 natural compounds, acteoside, licochalcone B, licochalcone D, linoleic acid, and physcion showed the satisfactory inhibition effect on Mpro with IC50 from 1.93 to 42.96 µM, which were further verified by SPR. Showing the excellent binding affinity, acteoside was witnessed to gain valuable insights into the thermodynamic signatures by ITC and presented antiviral activity on Omicron BA.1.1 and BA.2.3 variants in vitro. The results revealed that acteoside inhibited Mpro via forming the hydrogen bond between 7-H of acteoside and Mpro. Conclusion Acteoside is regarded as a representative active natural compound in XFBD to inhibit replication of SARS-CoV-2, which provides the antiviral evidence and some insight into the identifications of SARS-CoV-2 Mpro natural inhibitors.

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Analysis on the medication rule of traditional Chinese medicine in the treatment of COVID-19 patients

Cited by 6 publications

References 17 publications

Luteolin inhibits spike protein of severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) binding to angiotensin‐converting enzyme 2

Luteolin inhibits spike protein of severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2) binding to angiotensin‐converting enzyme 2

Discovery and evaluation of active compounds from Xuanfei Baidu formula against COVID-19 via SARS-CoV-2 Mpro

Discovery and evaluation of active compounds from Xuanfei Baidu Formula against COVID-19 via SARS-Cov-2 Mpro

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