Evidence map›Paper›PMID 36289976›Full record

ArticleAntibiotics (Basel, Switzerland)2022

Virtual Screening for SARS-CoV-2 Main Protease Inhibitory Peptides from the Putative Hydrolyzed Peptidome of Rice Bran.

Nathaphat Harnkit, Thanakamol Khongsonthi, Noprada Masuwan, Pornpinit Prasartkul, Tipanart Noikaew, Pramote Chumnanpuen

Abstract read
In one paragraph

Article in Antibiotics (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

6 citing papers in PubMed.

  1. Article
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  3. Review
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Nathaphat HarnkitMedicinal Plant Research Institute, Department of Medical Sciences, Ministry of Public Health, Nonthaburi 11000, Thailand.ORCID 0000-0002-6817-4889
Thanakamol KhongsonthiMahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Prathom 73170, Thailand.
Noprada MasuwanMahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Prathom 73170, Thailand.
Pornpinit PrasartkulMahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Prathom 73170, Thailand.ORCID 0000-0002-6957-9714
Tipanart NoikaewDepartment of Biology and Health Science, Mahidol Wittayanusorn School, 364 Salaya, Phuttamonthon District, Nakhon Prathom 73170, Thailand.
Pramote ChumnanpuenOmics Center for Agriculture, Bioresources, Food and Health, Kasetsart University (OmiKU), Bangkok 10900, Thailand.ORCID 0000-0003-3072-1733

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The Coronavirus Disease 2019 (COVID-19) caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has led to the loss of life and has affected the life quality, economy, and lifestyle. The SARS-CoV-2 main protease (Mpro), which hydrolyzes the polyprotein, is an interesting antiviral target to inhibit the spreading mechanism of COVID-19. Through predictive digestion, the peptidomes of the four major proteins in rice bran, albumin, glutelin, globulin, and prolamin, with three protease enzymes (pepsin, trypsin, and chymotrypsin), the putative hydrolyzed peptidome was established and used as the input dataset. Then, the prediction of the antiviral peptides (AVPs) was performed by online bioinformatics tools, i.e., AVPpred, Meta-iAVP, AMPfun, and ENNAVIA programs. The amino acid composition and cytotoxicity of candidate AVPs were analyzed by COPid and ToxinPred, respectively. The ten top-ranked antiviral peptides were selected and docked to the SARS-CoV-2 main protease using GalaxyPepDock. Only the top docking scored candidate (AVP4) was further analyzed by molecular dynamics simulation for one nanosecond. According to the bioinformatic analysis results, the candidate SARS-CoV-2 main protease inhibitory peptides were 7-33 amino acid residues and formed hydrogen bonds at Thr22-24, Glu154, and Thr178 in domain 2 with short bonding distances. In addition, these top-ten candidate bioactive peptides contain hydrophilic amino acid residues and have a positive net charge. We hope that this study will provide a potential starting point for peptide-based therapeutic agents against COVID-19.

Indexed as

antiviral peptidebioinformaticsmolecular dockingmolecular dynamicsrice branSARS-CoV-2 main protease

Identifiers

PMID36289976
PMCPMC9598432

What Socratic holds

Textmetadata
LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.