Some natural compounds and their analogues having potent anti- SARS-CoV-2 and anti-proteases activities as lead molecules in drug discovery for COVID-19

Dinda, Biswanath; Dinda, Manikarna; Dinda, Subhajit; Chakraborty, Mithun

doi:10.1016/j.ejmcr.2022.100079

Cited by 11 publications

(12 citation statements)

References 94 publications

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“…Therefore, natural compounds in herbs seem to be rich sources for screening potential drugs against coronaviruses. As expected, several herbal medicines as well as isolated compounds in herbs have been reported to possess inhibitory activities against SARS-CoV-2 in the past few years [ 8 , 9 , 10 , 11 , 12 , 13 , 14 , 15 ]. Although herbal medicines and their isolated compounds are not as effective as chemical antiviral drugs, they are empirically safe for the human body, particularly after long-term consumption.…”

Section: Introductionmentioning

confidence: 64%

Strictinin, a Major Ingredient in Yunnan Kucha Tea Possessing Inhibitory Activity on the Infection of Mouse Hepatitis Virus to Mouse L Cells

Hsu

Tzen

2023

Molecules

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Theacrine and strictinin of Yunnan Kucha tea prepared from a mutant variety of wild Pu’er tea plants were two major ingredients responsible for the anti-influenza activity. As the COVID-19 outbreak is still lurking, developing safe and cost-effective therapeutics is an urgent need. This study aimed to evaluate the effects of these tea compounds on the infection of mouse hepatitis virus (MHV), a β-coronavirus serving as a surrogate for SARS-CoV. Treatment with strictinin (100 μM), but not theacrine, completely eliminated MHV infection, as indicated by a pronounced reduction in plaque formation, nucleocapsid protein expression, and progeny production of MHV. Subsequently, a time-of-drug addition protocol, including pre-, co-, or post-treatment, was exploited to further evaluate the possible mechanism of antiviral activity mediated by strictinin, and remdesivir, a potential drug for the treatment of SARS-CoV-2, was used as a positive control against MHV infection. The results showed that all three treatments of remdesivir (20 μM) completely blocked MHV infection. In contrast, no significant effect on MHV infection was observed when cells were pre-treated with strictinin (100 μM) prior to infection, while significant inhibition of MHV infection was observed when strictinin was introduced upon viral adsorption (co-treatment) and after viral entry (post-treatment). Of note, as compared with the co-treatment group, the inhibitory effect of strictinin was more striking in the post-treatment group. These results indicate that strictinin suppresses MHV infection by multiple mechanisms; it possibly interferes with viral entry and also critical step(s) of viral infection. Evidently, strictinin significantly inhibited MHV infection and might be a suitable ingredient for protection against coronavirus infection.

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Section: Introductionmentioning

confidence: 64%

Strictinin, a Major Ingredient in Yunnan Kucha Tea Possessing Inhibitory Activity on the Infection of Mouse Hepatitis Virus to Mouse L Cells

Hsu

Tzen

2023

Molecules

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“…Peptides and natural compounds from plants, and their analogues, have shown potent anti-SARS-CoV-2 and anti-protease activities, being considered attractive molecules in drug discovery against COVID-19 ( Dinda et al, 2022 ). Relative to existing pharmacological treatments, camostat, nafamostat, and gabexate - clinically approved in Japan and initially intended for treating pancreatitis - may also suppress TMPRSS2 activity ( Yamaya et al, 2020 ).…”

Section: Discussionmentioning

confidence: 99%

“…However, to date, information on specific and safe antiviral drugs for treating infectious disease caused by SARS-CoV-2 is scarce, and current clinical treatments of COVID-19 with antiviral, antimalarial, and immunomodulatory drugs repurposed from cocktail therapy are controversial. Only remdesivir, developed initially against Ebola infection, was found to be effective in inhibiting SARS-CoV-2 infection in vitro , and it has been approved by the FDA to treat patients with severe COVID-19 ( Dinda et al, 2022 ).…”

Section: Discussionmentioning

confidence: 99%

Prospecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds

Luz

Medeiros

Bezerra

et al. 2023

Arabian Journal of Chemistry

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“…Furthermore, they accurately determine ‘ligand–protein’ interactions, and help establish the ‘structure–activity relationship (SAR)’ of a promising compound [ 19 ]. Therefore, based on the docking and SAR analysis, several natural compounds and their synthetic analogs have been confirmed to possess target-specific inhibitory effects against SARS-CoV-2 proteins [ 13–18 ]. The SARS-CoV-2 nonstructural gene ( Nsp5 ) codes for 3CLpro or Mpro which by hydrolyzing the replicase polyprotein (nsp1), produces Nsp4-Nsp16 components, and thus plays a crucial role in its RNA replication and the maturation of nonstructural proteins [ 5 , 6 , 10 ].…”

Section: Discussionmentioning

confidence: 99%

“…In a clinical study, for example, almost 90% of hospitalized COVID-19 patients in Chongqing, China were given herbal medicines along with lopinavir, ritonavir and interferon [ 12 ]. Further, based on in silico screening and in vitro bioassays, several natural or plant-derived compounds and their synthetic analogs have been confirmed to possess target-specific inhibitory effects against SARS-CoV-2 proteins [ 13–17 ]. Of these, Plitidepsin isolated from marine squirt has been shown to inhibit SARS-CoV-2 as well as Delta and Omicron replication in vitro [ 18 ].…”

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confidence: 99%

Structure-Based Virtual Identification of Natural Inhibitors of SARS-CoV-2 and its Delta and Omicron Variant Proteins

2023

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Aim: Structure-based identification of natural compounds against SARS-CoV-2, Delta and Omicron target proteins. Materials & methods: Several known antiviral natural compounds were subjected to molecular docking and MD simulation against SARS-CoV-2 Mpro, Helicase and Spike, including Delta and Omicron Spikes. Results: Of the docked ligands, 20 selected for each complex exhibited overall good binding affinities (-7.79 to -5.06 kcal/mol) with acceptable physiochemistry following Lipinski's rule. Finally, two best ligands from each complex upon simulation showed structural stability and compactness. Conclusion: Quercetin-3-acetyl-glucoside, Rutin, Kaempferol, Catechin, Orientin, Obetrioside and Neridienone A were identified as potential inhibitors of SARS-CoV-2 Mpro, Helicase and Spike, while Orientin and Obetrioside also showed good binding-affinities with Omicron Spike. Catechin and Neridienone A formed stable complexes with Delta Spike.

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Some natural compounds and their analogues having potent anti- SARS-CoV-2 and anti-proteases activities as lead molecules in drug discovery for COVID-19

Cited by 11 publications

References 94 publications

Strictinin, a Major Ingredient in Yunnan Kucha Tea Possessing Inhibitory Activity on the Infection of Mouse Hepatitis Virus to Mouse L Cells

Strictinin, a Major Ingredient in Yunnan Kucha Tea Possessing Inhibitory Activity on the Infection of Mouse Hepatitis Virus to Mouse L Cells

Prospecting native and analogous peptides with anti-SARS-CoV-2 potential derived from the trypsin inhibitor purified from tamarind seeds

Structure-Based Virtual Identification of Natural Inhibitors of SARS-CoV-2 and its Delta and Omicron Variant Proteins

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