Exploring the active compounds of traditional Mongolian medicine in intervention of novel coronavirus (COVID-19) based on molecular docking method

Yu, Jiuwang; Wang, Lu; Bao, Lidao

doi:10.1016/j.jff.2020.104016

Cited by 71 publications

(64 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Notably, Lys26 and Asp30 play a critical role in the interaction of the RBD S protein of SARS-CoV; thus, Han et al concluded that these residues have the potential to be developed as a target for entry inhibitors [ 71 ]. Moreover, Gln325/Glu329 and Asp38/Gln42 of ACE2 are key binding sites that form hydrogen bonds with Arg426 and Tyr436 of the S protein SARS-CoV-2 [ 72 ]. These critical residues are also present in the S protein of SARS-CoV-2 with a similar sequence [ 73 ].…”

Section: Angiotensin-converting Enzyme 2 (Ace2)mentioning

confidence: 99%

“…The high reactivity of the resorcinol structure is primarily associated with the location of these two hydroxyl groups in the benzene ring [ 110 ]. The resorcinol moiety of ring A might play a role in ACE2 inhibition, as this group might disrupt hydrogen bonds between Glu329/Gln325 of ACE2 and Arg426 of the S protein of SARS CoV-2, which form a salt bridge to stabilize their interaction [ 72 , 73 ].This hydrophobic interaction occurs in ring C with some non-polar amino acid residues such as Gly354, Asp355, and Phe356 [ 111 ].…”

Section: Flavonoids As Ace2 Inhibitorsmentioning

confidence: 99%

See 1 more Smart Citation

Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2

et al. 2020

View full text Add to dashboard Cite

Over the years, coronaviruses (CoV) have posed a severe public health threat, causing an increase in mortality and morbidity rates throughout the world. The recent outbreak of a novel coronavirus, named severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the current Coronavirus Disease 2019 (COVID-19) pandemic that affected more than 215 countries with over 23 million cases and 800,000 deaths as of today. The situation is critical, especially with the absence of specific medicines or vaccines; hence, efforts toward the development of anti-COVID-19 medicines are being intensively undertaken. One of the potential therapeutic targets of anti-COVID-19 drugs is the angiotensin-converting enzyme 2 (ACE2). ACE2 was identified as a key functional receptor for CoV associated with COVID-19. ACE2, which is located on the surface of the host cells, binds effectively to the spike protein of CoV, thus enabling the virus to infect the epithelial cells of the host. Previous studies showed that certain flavonoids exhibit angiotensin-converting enzyme inhibition activity, which plays a crucial role in the regulation of arterial blood pressure. Thus, it is being postulated that these flavonoids might also interact with ACE2. This postulation might be of interest because these compounds also show antiviral activity in vitro. This article summarizes the natural flavonoids with potential efficacy against COVID-19 through ACE2 receptor inhibition.

show abstract

Section: Angiotensin-converting Enzyme 2 (Ace2)mentioning

confidence: 99%

Section: Flavonoids As Ace2 Inhibitorsmentioning

confidence: 99%

Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2

et al. 2020

View full text Add to dashboard Cite

show abstract

“…In addition, scientists have found polygonatum polysaccharide from Rhizoma Polygonati and compositions of sulphation Radix codonopsis polysaccharide have anti-new castle disease virus (NDV) effect, which makes the Rhizoma Polygonati promising in future emerging combating of new virus (Sina news, 2020). Other herbal food-derived active compounds have been identified by molecular docking to target virus of COVID-19 ( Yu et al, 2020 ). Thus, elucidating the mechanisms using Molecular Docking would provide a expedite screening, design and guidance for further experimental validation when new viral emergency happens.…”

Section: Discussionmentioning

confidence: 99%

“…The aim is to seek for the best binding mode of small molecule drugs and large molecules (proteins) with known structures. Using both techniques, some Chinese medicine compounds have been identified to have potential treatment effect on COVID-19 or other diseases ( Wang et al, 2020 , Yu et al, 2020 ).…”

Section: Introductionmentioning

confidence: 99%

Potential compound from herbal food of Rhizoma Polygonati for treatment of COVID-19 analyzed by network pharmacology: Viral and cancer signaling mechanisms

Sheng

Wang³

et al. 2021

Journal of Functional Foods

101

View full text Add to dashboard Cite

show abstract

“…The compounds are found to inhibit the combination of SARS-CoV-2 S-protein and ACE2 at the molecular level. The result has provided a theoretical basis for using them against COVID-19 (Yu et al, 2020).…”

Section: Virtual Screening Of Natural Compounds Against Sars-cov-2mentioning

confidence: 95%

Plant-Derived Secondary Metabolites as Potential Mediators against COVID-19: A Review

et al. 2020

View full text Add to dashboard Cite

The current pandemic of COVID-19 caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has envisioned a global health concern. The scientists and physicians around the world have been racing to understand the pathophysiology and possible treatment régimes to discover an effective therapeutic resolution against the disease. Different secondary metabolites from plants exhibit substantial biological assets including antiviral activity. These compounds may be used against the infections of coronavirus. The research papers, reviews, and preprints were searched from the PubMed database using keywords like severe acute respiratory syndrome coronavirus (SARS-CoV), Middle East respiratory syndrome (MERS), and traditional herbal medicine against COVID-19. The review focuses on those natural products which exhibited optimistic results against SARS-COV and SARS-CoV-2 in virtual as well as physical in vitro and in vivo tests. It summarizes the epidemiological characters, pathogenesis, structure, and targeting strategies of the virus. The compounds like lycorine, psoralidin, quercetin, glycyrrhizin, baicalin, caffeic acid, etc. could be the leads for the drug development against COVID-19.

show abstract

Exploring the active compounds of traditional Mongolian medicine in intervention of novel coronavirus (COVID-19) based on molecular docking method

Cited by 71 publications

References 17 publications

Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2

Natural Flavonoids as Potential Angiotensin-Converting Enzyme 2 Inhibitors for Anti-SARS-CoV-2

Potential compound from herbal food of Rhizoma Polygonati for treatment of COVID-19 analyzed by network pharmacology: Viral and cancer signaling mechanisms

Plant-Derived Secondary Metabolites as Potential Mediators against COVID-19: A Review

Contact Info

Product

Resources

About