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. 2025 Jan 23;15(2):162.
doi: 10.3390/life15020162.

Bioinformatic Selection of Mannose-Specific Lectins from Allium genus as SARS-CoV-2 Inhibitors Analysing Protein-Protein Interaction

Affiliations

Bioinformatic Selection of Mannose-Specific Lectins from Allium genus as SARS-CoV-2 Inhibitors Analysing Protein-Protein Interaction

Stefan Isaković et al. Life (Basel). .

Abstract

Mannose-specific lectins are carbohydrate-binding proteins known for their antiviral potential. This study uses a bioinformatic approach to investigate the possibility of lectins from Allium sativum (garlic) and Allium ursinum (wild garlic) as inhibitors of SARS-CoV-2 entry. The information spectrum method (ISM) identified key interaction frequencies between the SARS-CoV-2 spike protein and these lectins, explicitly targeting the receptor-binding domain (RBD) and glycosylated asparagine residues, including N234. Lectins from Allium species showed a high affinity for oligomannose-type glycans on the spike protein, potentially blocking virus entry by preventing the spike-ACE2 receptor interaction. We propose that Allium lectins are promising candidates for further experimental validation as SARS-CoV-2 inhibitors, offering potential therapeutic applications in managing viral infections.

Keywords: SARS-CoV-2; bioinformatics; informational spectrum method; lectins; spike protein.

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Conflict of interest statement

The authors declare no conflicts of interest.

Figures

Figure 1
Figure 1
CS of SARS-CoV-2 S1 protein wild type and human ACE2 receptor.
Figure 2
Figure 2
Corresponding interacting domains in SARS-CoV-2 S1 WT at F(0.323).
Figure 3
Figure 3
(a) Top and (b) side view of SARS-CoV-2 S1 (blue line ribbon) protein trimer with marked interaction domains determined using ISM (yellow line ribbon), N234 residues (red CPK), and glycans (green lines—all, CPK—bound to N234).
Figure 4
Figure 4
CS of SARS-CoV-2 S1 protein wild type and mannose-specific lectin from Allium ursinum.
Figure 5
Figure 5
CS of SARS-CoV-2 S1 protein wild type and mannose-specific lectin from Allium sativum.
Figure 6
Figure 6
CWT plot of SARS-CoV-2 S1 protein wild type at all ISM frequencies.
Figure 7
Figure 7
CWT spectrum of SARS-CoV-2 S1 protein wild type at ISM frequency F(0.323). Grey: wavelet coefficients ≤ cutoff 0.5975; white: wavelet coefficients > cutoff 0.5975.
Figure 8
Figure 8
CS of SARS-CoV-2 wild type S1 protein and lectin Concanavalin A P81461.
Figure 9
Figure 9
(a) CS of HIV-1 gp120 envelope protein and lectin GRFT. (b) CS of H1N1 Hemagglutinin and GNL.
Figure 10
Figure 10
(a) Corresponding interacting domains in HIV-1 gp120 at F(0.334). (b) Corresponding interacting domain in Hemagglutinin H1N1 at F(0.127).

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