Targeting the glycan of receptor binding domain with jacalin as a novel approach to develop a treatment against COVID-19

Rajendaran, Senthilnathan; Jothi, A.; Veerappan, Anbazhagan

doi:10.1098/rsos.200844

Cited by 7 publications

(5 citation statements)

References 27 publications

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“…Pokhrel et al 46 mentioned that the only asparagine conserved in several variants and mutations found in spike RBD structure N‐glycosylation sites is Asn‐343. Rajendaran et al 30 suggested that this ligand site is a good key to developing therapies against COVID‐19. CLEC5A structures do not have any special ligand site but can interact with the structures of several viruses, and its expression is related to lethality 1,3,4 .…”

Section: Discussionmentioning

confidence: 99%

“…The retained poses were then clustered, and the top poses were assessed. After the docking prediction by Cluspro, the interactions between the CLEC5A receptor and spike protein were visualized using PyMOL software (http://www.pymol.org/pymol), 30 which provided the binding residue prediction, as well as the root‐mean‐square deviation (RMSD). The RMSD was calculated by superimposition between the ligands atoms in the model provided by ClusPro top poses.…”

Section: Methodsmentioning

confidence: 99%

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CLEC5A expression can be triggered by spike glycoprotein and may be a potential target for COVID‐19 therapy

Machado

Santos

Azamor

et al. 2022

Journal of Medical Virology

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The immune response is crucial for coronavirus disease 19 (COVID‐19) progression, with the participation of proinflammatory cells and cytokines, inducing lung injury and loss of respiratory function. CLEC5A expression on monocytes can be triggered by viral and bacterial infections, leading to poor outcomes. Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is able to induce neutrophil activation by CLEC5A and Toll‐like receptor 2, leading to an aggressive inflammatory cascade, but little is known about the molecular interactions between CLEC5A and SARS‐CoV‐2 proteins. Here, we aimed to explore how CLEC5A expression could be affected by SARS‐CoV‐2 infection using immunological tools with in vitro, in vivo, and in silico assays. The findings revealed that high levels of CLEC5A expression were found in monocytes from severe COVID‐19 patients in comparison with mild COVID‐19 and unexposed subjects, but not in vaccinated subjects who developed mild COVID‐19. In hamsters, we detected CLEC5A gene expression during 3–15 days of Omicron strain viral challenge. Our results also showed that CLEC5A can interact with SARS‐CoV‐2, promoting inflammatory cytokine production, probably through an interaction with the receptor‐binding domain in the N‐acetylglucosamine binding site (NAG‐601). The high expression of CLEC5A and high levels of proinflammatory cytokine production were reduced in vitro by a human CLEC5A monoclonal antibody. Finally, CLEC5A was triggered by spike glycoprotein, suggesting its involvement in COVID‐19 progression; therapy with a monoclonal antibody could be a good strategy for COVID‐19 treatment, but vaccines are still the best option to avoid hospitalization/deaths.

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Section: Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

CLEC5A expression can be triggered by spike glycoprotein and may be a potential target for COVID‐19 therapy

Machado

Santos

Azamor

et al. 2022

Journal of Medical Virology

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“…In silico study showed that jacalin from jackfruit seeds binds to the glycosylated region of the receptor-binding domain (RBD) of SARS-CoV2 and alters its conformation. The conformation change in RBD affects their binding to human angiotensin-converting enzyme 2, suggesting the inhibitory potential of jacalin [ 13 ]. The water-soluble lectin from Moringa oleifera seeds (WSMoL) alters the membrane permeability to exhibit growth inhibition activity (5.2–167 μg/mL) against Bacillus sp.…”

Section: Lectins As Inhibitorsmentioning

confidence: 99%

“… Specificity Bioactivity Ref. Banana lectin BanLec Mannose/glucose HIV-1 inhibitor [ 12 ] Jacalin Jacalin Galactose SARS-CoV2 inhibitor [ 13 ] Moringa oleifera seeds WSMoL Fructose and porcine thyroglobulin Antibacterial [ 14 ] Lantana camara lectin LCL Asialo mucin, melibiose, chitin, methyl α,D galactopyranoside Antibacterial, antifungal [ 15 ] Andrias davidianus lectin ADL Porcine submaxillary glycoprotein (PSM), asialo-PSM Antibacterial [ 16 ] Bauhinia variegata lectin BVL–I Lactose, galactose and D-GalNAc Antibiofilm [ 17 ] Calliandra surinamensis leaves lectin CasuL ovalbumin, fetuin and bovine serum albumin Antibacteria, antibiofilm, antifungal, cytotoxic [ 18 ] Jackin Jackin Chitin Antifungal [ 19 ] Frutackin Frutackin Chtiin Antifungal [ 19 ] Chondrilla caribensis lectin <...…”

Section: Introductionmentioning

confidence: 99%

Lectins as the prominent potential to deliver bioactive metal nanoparticles by recognizing cell surface glycans

Bala Subramaniyan,

Veerappan

2024

Heliyon

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“…Protein-protein docking was also carried out to predict the binding affinity of ERβ-MDM2 complex in the presence of ergotamine using web server ClusPro 2.0 (Jena & Duttaroy, 2022;Rajendaran, et al, 2020). The binding affinity of the complex showed a lower score than of ERβ-MDM2 without ergotamine (see Table 1 and 4).…”

Section: Ergotamine Binds To Estrogen Receptor Beta (Erβ) and Murine ...mentioning

confidence: 99%

Virtual Screening on Molecules Targeting the Interaction Between Estrogen Receptor Beta and Murine Double Minute 2

Salmasfattah¹,

Nurulita²,

Dhiani³

2023

Indones J Cancer Chemoprevent

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Estrogen receptor beta (ERβ) is an isoform of estrogen receptor that plays a role in breast cancer. An E3 ubiquitin ligase, murine double minute 2 (MDM2), can bind to ERβ and degrade it. Virtual screening and protein-protein docking studies are one of the approaches that can be performed to discover FDA-approved drugs targeting the interaction of the ERβ-MDM2 complex. This study aimed to conduct virtual screening of 1615 compounds targeting the interaction between ERβ-MDM2 as an initial study to discover potential breast cancer drugs. Biovia Discovery Studio 2021, ClusPro 2.0, PyRx 8.0, and PyMOL software were utilized in this study. ERβ (PDB ID: 3OLS) and MDM2 (PDB ID: 1T4E) receptors were docked to obtain the ERβ-MDM2 protein complex. The ligands used in the virtual screening were FDA-approved drugs downloaded from the ZINC database. PIC and PLIP web tools were also utilized to analyze the amino acid residues involved in the interaction. The virtual screening results showed that ergotamine was the drug with the lowest energy score (-12.0 kcal/mol) among 1057 drugs and was able to establish the strongest interaction between ERβ-MDM2. In conclusion, based on this computational study, ergotamine strengthens the interaction between ERβ-MDM2 and thus could be used as a candidate for breast cancer drug. Thorough validation of in vitro, biochemical, and in vivo studies are needed to confirm this finding.Keywords: Estrogen receptor beta, breast cancer, protein-protein interaction, MDM2.

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Targeting the glycan of receptor binding domain with jacalin as a novel approach to develop a treatment against COVID-19

Cited by 7 publications

References 27 publications

CLEC5A expression can be triggered by spike glycoprotein and may be a potential target for COVID‐19 therapy

CLEC5A expression can be triggered by spike glycoprotein and may be a potential target for COVID‐19 therapy

Lectins as the prominent potential to deliver bioactive metal nanoparticles by recognizing cell surface glycans

Virtual Screening on Molecules Targeting the Interaction Between Estrogen Receptor Beta and Murine Double Minute 2

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