In silico screening of natural compounds to inhibit interaction of human ACE2 receptor and spike protein of SARS-CoV-2 for the prevention of COVID-19.

Researchers screened a library of phytochemicals for their potential to inhibit the binding of ACE2 receptors to the spike protein of SARS-CoV-2. Out of 686 compounds, 20 were found to bind with energy ranging from -11.8 to -6.9 kcal/mol. Four compounds were found to be non-toxic and stable in molecular dynamics simulations and may prevent SARS-CoV-2 infection by inhibiting viral entry into host cells. These compounds are Hinokinin, Gmelanone, Isocolumbin, and Tinocordioside.

Sharma P et al (2023).

J Biomol Struct Dyn.

DOI:

10.1080/07391102.2021.2010599

PubMed:

34854365

An Evaluation of the Potential of Essential Oils against SARS-CoV-2 from In Silico Studies through the Systematic Review Using a Chemometric Approach.

Researchers conducted a systematic review of essential oils (EOs) and their compounds to identify the most promising ones against SARS-CoV-2, the virus that causes COVID-19. They found 15 EO compounds that showed high promise and identified plant species as potential sources. The study highlights the potential for EOs as antiviral agents but further in vitro and in vivo studies are needed to optimize their effectiveness against COVID-19.

Torres Neto L et al (2021).

Pharmaceuticals (Basel).

DOI:

10.3390/ph14111138

PubMed:

34832920

Removal of COVID-19 Spike Protein, Whole Virus, Exosomes, and Exosomal MicroRNAs by the Hemopurifier® Lectin-Affinity Cartridge in Critically Ill Patients With COVID-19 Infection.

Two critically ill COVID-19 patients were treated with a Hemopurifier, which removes mannosylated viruses and exosomes released by activated cells. Both patients tolerated the treatment well. In one patient, removal of exosomes was associated with improved coagulopathy, oxygenation, and clinical recovery. In the second patient, removal of COVID-19 by the Hemopurifier was observed. The Hemopurifier is currently being further investigated in a safety and feasibility study with up to 40 patients in ICU with COVID-19 infection.

Amundson DE et al (2021).

Front Med (Lausanne).

DOI:

10.3389/fmed.2021.744141

PubMed:

34692735

In Vitro Effect of Taraxacum officinale Leaf Aqueous Extract on the Interaction between ACE2 Cell Surface Receptor and SARS-CoV-2 Spike Protein D614 and Four Mutants.

New SARS-CoV-2 variants of concern have multiple mutations in the ACE2 receptor recognition site, potentially causing immune escape. Researchers found that common dandelion can block the virus spike protein's interaction with the ACE2 receptor in kidney and lung cells, including mutant forms. High-molecular-weight compounds in the water-based extract account for this effect. The extract also prevented infection and pro-inflammatory response in lung cells using both the original virus and a new variant. This safe medicinal plant could be further researched as a non-invasive, oral post-exposure prophylaxis for SARS-CoV-2.

Tran HTT et al (2021).

Pharmaceuticals (Basel).

DOI:

10.3390/ph14101055

PubMed:

34681279

Arq Ajīb - a wonder Unani formulation for inhibiting SARS-CoV-2 spike glycoprotein and main protease - an in silico approach.

Ahmed NZ et al (2021).

J Complement Integr Med.

DOI:

10.1515/jcim-2021-0241

PubMed:

34679263

Computational guided identification of potential leads from Acacia pennata (L.) Willd. as inhibitors for cellular entry and viral replication of SARS-CoV-2.

Zothantluanga JH et al (2021).

Futur J Pharm Sci.

DOI:

10.1186/s43094-021-00348-7

PubMed:

34660817

Extraction and characterization of metabolites from Olea europaea pulp and their molecular docking against SARS-CoV-2 main-protease (M(pro)).

Scientists extracted bioactive compounds from Olea europaea fruit using the Soxhlet-maceration method and analyzed their potential against SARS-CoV-2 using molecular docking. They detected several compounds that showed promising inhibition potential, with squalene being the most effective and comparable to the control drug remdesivir. The compounds were found to be safe and possess excellent pharmacokinetic and toxicity properties. This research highlights the antiviral potential of these metabolites against SARS-CoV-2.

Ragunathan V and Chithra K (2023).

Nat Prod Res.

DOI:

10.1080/14786419.2021.1983813

PubMed:

34581234

The dual role of phytochemicals on SARS-CoV-2 inhibition by targeting host and viral proteins.

COVID-19 has impacted over 190 million people worldwide, leading to major global crises. Researchers believe simultaneously boosting patient immunity while targeting viral proteins may reduce the severity of the infection, due to the virus's rapidly mutating genome.

Singh P et al (2022).

J Tradit Complement Med.

DOI:

10.1016/j.jtcme.2021.09.001

PubMed:

34513611