French Study Finds That Phytochemicals from Asparagus Can Block COVID-19 Virus Entry into Cells

Medical News: For centuries, asparagus has been enjoyed as a delicious vegetable with surprising health benefits. But now, a new discovery is adding even more excitement to this green spear - certain sulfur-rich phytochemical compounds found in asparagus may hold the potential to block the very receptor the SARS-CoV-2 virus uses to enter human cells.


French Study Finds That Phytochemicals from Asparagus Can Block COVID-19 Virus Entry into Cells

Researchers from the University of Lille and the Oncowitan Scientific Consulting Office in France have uncovered that natural molecules from asparagus, particularly a compound called asparaptine B, can bind to and potentially block the angiotensin-converting enzyme 2 (ACE2) - a key protein the coronavirus uses to gain entry into human cells. This Medical News report sheds light on how these simple plant molecules might be turned into future therapeutic tools in our ongoing battle against COVID-19 and other ACE2-linked diseases.
 
The groundbreaking study, conducted by scientists Gérard Vergoten and Christian Bailly, both affiliated with the University of Lille, Inserm, CHU Lille, and CNRS in France, employed advanced molecular docking techniques to explore how asparagus-derived compounds interact with the ACE2 protein. Their findings not only support the therapeutic promise of natural asparagus metabolites but also open the door to the development of new drug candidates modeled after these plant-based compounds.
 
Asparagus and Its Sulfur Secrets
Asparagus (Asparagus officinalis), commonly enjoyed in dishes worldwide, is known for its diuretic, antioxidant, anti-inflammatory, and even neuroprotective effects. However, what gives asparagus its unique pungent post-consumption smell is also what gives it potential as a health-promoting powerhouse - its sulfur-containing compounds.
 
Among these, asparagusic acid and its derivatives, known as asparaptines (A, B, and C), contain a rare dithiolane ring structure. These molecules are not only structurally unique but also biologically active. Asparaptine A has already been recognized for its ability to lower blood pressure by inhibiting angiotensin-converting enzyme (ACE). But this latest study shifts the spotlight to its lesser-known cousin - asparaptine B - a compound formed when asparagusic acid binds to the amino acid lysine.
 
Asparaptine B Shows Strong Affinity for ACE2
Using detailed computational models, the French scientists tested the ability of various asparaptines and other related sulfur-containing compounds to bind to ACE2, the very receptor that the COVID-19 virus latches onto during infection.

Their simulations revealed that among all the compounds tested, asparaptine B had the strongest and most stable interaction with ACE2. Its binding strength was only slightly less than that of MLN-4760, a known pharmaceutical ACE2 inhibitor used as a reference in the study.&l t;br />  
Unlike asparaptines A and C, which are based on arginine and histidine respectively, the lysine structure in asparaptine B allows it to form more hydrogen bonds and better interactions with key amino acids in the ACE2 binding pocket. Additionally, the molecule’s dithiolane ring enables it to participate in unique π-sulfur interactions, further stabilizing its grip on the ACE2 protein.
 
Identifying Other Powerful ACE2 Binders
Encouraged by asparaptine B's performance, the researchers expanded their study to 20 other sulfur-containing compounds, especially those with dithiolane motifs. Among these, three emerged as particularly strong ACE2 binders:
 
-Isovalthine: A naturally occurring sulfur amino acid known from animal metabolism. It interacts with ACE2 through key arginine residues and exhibited even stronger binding than asparaptine B.

-N-acetyl-felinine: A derivative of a cat pheromone that demonstrated binding strength comparable to asparaptine B.

-CMX-2043: A synthetic drug under clinical investigation for protecting the heart and brain during ischemic injury. It turned out to be the strongest ACE2 binder in the entire study, even outperforming the pharmaceutical reference MLN-4760. CMX-2043’s structure, which includes a dipeptide sequence and α-lipoic acid (a well-known antioxidant), allows it to bind tightly to ACE2 through a combination of hydrogen bonds, π-anion interactions, and sulfur-mediated contacts. This suggests that it may not only help with cardiovascular and neurological conditions but also interfere with viral entry mechanisms involving ACE2.
 
Implications for COVID-19 and Future Therapeutics
The study's findings are particularly relevant in the context of COVID-19. ACE2 is the very protein used by SARS-CoV-2 to enter human cells. By occupying or altering this protein’s structure, asparaptine B and similar compounds might interfere with viral docking and thus act as potential therapeutic agents or supplements.
 
Moreover, compounds like CMX-2043 - already being tested in humans for other indications - could potentially be repurposed to modulate ACE2 function in COVID-19 patients, adding another layer of defense against infection or viral replication.
 
While much of the current therapeutic focus has been on directly targeting the virus itself, this research emphasizes the importance of targeting host factors such as ACE2, which could lead to treatments that are less susceptible to viral mutations.
 
Study Conclusions
This pioneering molecular docking study by French researchers underscores the untapped therapeutic potential of natural sulfur-containing compounds found in everyday plants like asparagus. Among these, asparaptine B has emerged as a promising molecule capable of tightly binding to ACE2, the protein exploited by the SARS-CoV-2 virus.
 
Even more compelling are the findings related to isovalthine and CMX-2043, which may open new therapeutic avenues not only for COVID-19 but also for cardiovascular and neurological disorders where ACE2 plays a key role. The study emphasizes the potential of dithiolane-based molecules, a class of compounds rarely considered in drug design, as valuable starting points for new ACE2-targeting therapies. Future research and clinical investigations will be crucial to translating these molecular findings into real-world health solutions.
 
The study findings were published in the peer reviewed Journal of Biochemical and Molecular Toxicology.
https://onlinelibrary.wiley.com/doi/10.1002/jbt.70236
 
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