Multi-target mechanisms against coronaviruses of constituents from Chinese Dagang Tea revealed by experimental and docking studies

Qin, Xu-Bing; Lin, Tingting; Xie, Fuda; Yao, Liyuan; Li, Yulin; Xiong, Binhong; Xu, Zhifang; Ye, Yongchang; Chen, Hongfeng; Qiu, Shaofu

doi:10.1016/j.jep.2022.115528

Cited by 5 publications

(3 citation statements)

References 49 publications

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“…The effective substances of PE-TS should be further studied by high resolution GC-MS, traditional column chromatography separation method, etc. Notably, some of the identified compounds from PE-TS were reported antiviral activities, such as the anti-HCoV-OC43 activity of α-amyrin (EC 50 = 3.99 μM) ( Zhao et al, 2022 ), the anti-CHIKV activity of β-Amyrone (EC 50 = 86 μM) ( Bourjot et al, 2012 ). Palmitic acid showed anti-HIV-1 and anti-HCV activity ( Lee et al, 2009 ; Miyake et al, 2012 ).…”

Section: Discussionmentioning

confidence: 99%

Antiviral effects of the petroleum ether extract of Tournefortia sibirica L. against enterovirus 71 infection in vitro and in vivo

Huang

Hong³

et al. 2022

Front. Pharmacol.

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Enterovirus 71 (EV71) is the major cause of severe hand, foot, and mouth disease (HFMD). Compared to other HFMD pathogens, like coxsackievirus A16 (CVA16), EV71 can invade the central nervous system and cause permanent damage. At present, there are no available antivirals against EV71 for clinical treatment. Herein, multiple Chinese botanical drugs were collected, and 47 types of botanical extracts were extracted using aqueous solutions and organic solvents. Based on the cytopathic effect inhibition assay, petroleum ether extract of Tournefortia sibirica L. (PE-TS) demonstrated 97.25% and 94.75% inhibition rates for EV71 infection (at 250 μg/ml) and CVA16 infection (at 125 μg/ml), respectively, with low cytotoxicity. Preliminary mechanistic studies showed that PE-TS inhibits replication of EV71 genomic RNA and synthesis of the EV71 protein. The released extracellular EV71 progeny virus titer decreased by 3.75 lg under PE-TS treatment. Furthermore, using a newborn mouse model, PE-TS treatment protected 70% and 66.7% of mice from lethal dose EV71 intracranial challenge via administration of intraperitoneal injection at 0.4 mg/g and direct lavage at 0.8 mg/g, respectively. The chemical constituents of the PE-TS were analyzed by Gas Chromatography-Mass Spectrometer (GC-MS), and a total of 60 compounds were identified. Compound-target network analysis and molecular docking implied potential bioactive compounds and their protein targets against EV71 associated pathology. The present study identified antiviral effects of PE-TS against EV71/CVA16 infection in vitro and EV71 infection in vivo, providing a potential antiviral botanical drug extract candidate for HFMD drug development.

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Section: Discussionmentioning

confidence: 99%

Antiviral effects of the petroleum ether extract of Tournefortia sibirica L. against enterovirus 71 infection in vitro and in vivo

Huang

Hong³

et al. 2022

Front. Pharmacol.

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“…After the cells in the 96-well plate had grown into a monolayer, the cells were infected with HCoV-OC43 at multiplicity of infection (MOI) 0.01 and treated with serial dilutions of the compounds. The appearance of hornet's nest lesions at 72 h post-infection (hpi) was judged to be HCoV-OC43 infection ( Zhao et al, 2022 ).…”

Section: Methodsmentioning

confidence: 99%

Pinostrobin from plants and propolis against human coronavirus HCoV-OC43 by modulating host AHR/CYP1A1 pathway and lipid metabolism

Yao

Chen

et al. 2023

Antiviral Research

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“…027 and binding energy of -212.66 KJ/mol, indicating a strong protease inhibition. Furthermore,(Zhao et al 2022) evaluated the phytochemicals of Eurya chinensis leaves for their antiviral activity in vitro. Cytopathic effect reduction and antibody-based EC 50 assays revealed that the phytochemicals, including the active compound eriodictyol, had antiviral effects against HCoV-OC43.…”

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confidence: 99%

Targeting SARS-CoV-2 main protease 3CL pro and human ACE2 with Paeonia Phytochemicals by in silico and in vitro Studies in Terms of Possible COVID- 19 Therapeutics

Bostancioglu,

Sandalli,

Almohazey

et al. 2023

Preprint

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As important medicinal herbs, Paeonia species have been used in ancient medicine. Although its therapeutic potential is well known, the potential efficacy of Paeonia phytochemicals against the emerging coronavirus (SARS-CoV-2) has yet to be tested. This study selected seventy-six Paeonia compounds to determine their potential druggable impact on SARS-CoV-2 main protease (3CLpro) and human ACE2 proteins. Structure-based virtual screening (SBVS) approach was performed by PyRx molecular docking software, including the Open Babel v2.4 and AutoDock 4.2.6 tools. The lowest affinity score and desired hydrogen bonding interactions were selected, and SwissADME was used to predict drug-likeness and pharmacokinetics properties. In addition, the potential cytotoxic effect of five Paeonia root extracts was tested in cancer (HCT116 and HeLa) and fibroblast (HFF) cell lines. The results showed that nine Paeonia ligands (catechin, apigenin, palbinone, kaempferol, paeoniflorigenone, eriodictyol, paeonilactone C, cassythicine, and 3-O-methylquercetin) were able to interact with SARS-CoV-2 at high affinity (from − 7.5 to -9.0 kJ/mol), as possible SARS-CoV-2 inhibitors. Molecular dynamics simulation (MDS) analysis revealed that five of these phytochemicals -cathecin, apigenin, palbinone, paeoniflorigenone, and eriadictyol- have the potential to act as effective compounds. In addition, the plant extracts at low concentrations is not cytotoxic for selected cell lines. Overall, this study points to the inhibitory potential of Paeonia phytochemicals as novel therapeutics against SARS-CoV-2. Their druggable potential can be tested in vivo in further studies.

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Multi-target mechanisms against coronaviruses of constituents from Chinese Dagang Tea revealed by experimental and docking studies

Cited by 5 publications

References 49 publications

Antiviral effects of the petroleum ether extract of Tournefortia sibirica L. against enterovirus 71 infection in vitro and in vivo

Antiviral effects of the petroleum ether extract of Tournefortia sibirica L. against enterovirus 71 infection in vitro and in vivo

Pinostrobin from plants and propolis against human coronavirus HCoV-OC43 by modulating host AHR/CYP1A1 pathway and lipid metabolism

Targeting SARS-CoV-2 main protease 3CL pro and human ACE2 with Paeonia Phytochemicals by in silico and in vitro Studies in Terms of Possible COVID- 19 Therapeutics

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