Prediction of COVID-19 manipulation by selective ACE inhibitory compounds of Potentilla reptant root: In silico study and ADMET profile.

A study found that COVID-19 can cause heart problems through its effect on ACE2. Researchers discovered that compounds found in L. root may protect the heart by inhibiting ACE and other proteins involved in cardiac function. These compounds showed potential as natural anti-SARS-CoV-2 agents in molecular docking studies. Triterpenoids found in L. root were particularly effective in inhibiting ACE and had good drug-like properties. The study suggests that L. root may have a protective effect on the heart during COVID-19 infection.

Xu Y et al (2022).

Arab J Chem.

DOI:

10.1016/j.arabjc.2022.103942

PubMed:

35502159

GC-MS analysis of phytoconstituents from Ruellia prostrata and Senna tora and identification of potential anti-viral activity against SARS-CoV-2.

Researchers identified natural compounds that can inhibit the activity of the SARS-CoV-2 main protease, which plays a critical role in viral replication. Through computational methods such as molecular docking and simulations, four compounds were identified with good pharmacokinetics and toxicity properties: PubChem CID 70825, CID 25247358, CID 54685836, and CID 1983. Experimental validation is still needed, but these compounds show promise as potential therapeutics for COVID-19.

Alam R et al (2021).

RSC Adv.

DOI:

10.1039/d1ra06842c

PubMed:

35494115

Identification of potential bioactive natural compounds from Indonesian medicinal plants against 3-chymotrypsin-like protease (3CL(pro)) of SARS-CoV-2: molecular docking, ADME/T, molecular dynamic simulations, and DFT analysis.

Researchers conducted virtual screening of 49 bioactive phytochemicals from 20 medicinal plants used in Indonesian traditional medicine and the 3CL inhibitor N3 to identify effective drugs against the SARS-CoV-2 virus. 11 compounds showed good binding affinity against the virus, and Luteolin and Naringenin showed significant interactions with the catalytic residues of the virus and displayed drug-like characteristics. Further molecular dynamics simulations and density-functional theory calculations suggest that these phytochemicals could be potential antagonists of 3CL of SARS-CoV-2.

Prasetyo WE et al (2023).

J Biomol Struct Dyn.

DOI:

10.1080/07391102.2022.2068071

PubMed:

35470785

Anti-SARS-CoV-2 potential of Cissampelos pareira L. identified by connectivity map-based analysis and in vitro studies.

Haider M et al (2022).

BMC Complement Med Ther.

DOI:

10.1186/s12906-022-03584-3

PubMed:

35459166

In Vitro and In Silico Evaluation of ACE2 and LOX Inhibitory Activity of Origanum Essential Oils and Carvacrol.

In this study, researchers evaluated the inhibitory potentials of commercial essential oils and their main component, carvacrol. The essential oils, including and , were found to inhibit angiotensin-converting enzyme 2 and lipoxygenase enzymes. Carvacrol showed the highest inhibitory activity for both enzymes. The findings suggest that these essential oils and carvacrol have potential health benefits, particularly in regulating blood pressure and inflammation. Further studies are needed to ensure their safety and effectiveness.

Demirci F et al (2023).

Planta Med.

DOI:

10.1055/a-1828-2479

PubMed:

35439836

Anti-COVID-19 potential of Azadirachta indica (Neem) leaf extract.

COVID-19 can cause multiple organ distress syndrome (MODS) and has high mortality rates in severe cases, especially in those with comorbidities like cardiovascular disease and diabetes. The involvement of the vascular endothelium (VE) is a plausible explanation for MODS, as the VE connects all target organs and systems. This study hypothesizes that the acetone-water extract of Neem plant leaves, which has been shown to prevent the binding of other pathogens to the VE, could prevent SARS-CoV-2 binding and therefore be an effective treatment for COVID-19. The extract is readily available, simple to prepare, and non-toxic, making it a promising therapeutic option. Clinical trials are needed to investigate its efficacy further.

Eze MO et al (2022).

Sci Afr.

DOI:

10.1016/j.sciaf.2022.e01184

PubMed:

35434432

Target prediction, computational identification, and network-based pharmacology of most potential phytoconstituent in medicinal leaves of Justicia adhatoda against SARS-CoV-2.

Dagur P et al (2023).

J Biomol Struct Dyn.

DOI:

10.1080/07391102.2022.2059010

PubMed:

35412437

Honeysuckle (Lonicera japonica) and Huangqi (Astragalus membranaceus) Suppress SARS-CoV-2 Entry and COVID-19 Related Cytokine Storm in Vitro.

Yeh YC et al (2022).

Front Pharmacol.

DOI:

10.3389/fphar.2021.765553

PubMed:

35401158