ArticleComputers in biology and medicine2021
Computational screening of 645 antiviral peptides against the receptor-binding domain of the spike protein in SARS-CoV-2.
Article in Computers in biology and medicine, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers.
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.
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.
Who cites it
27 citing papers in PubMed, 45 citations in OpenAlex.
- Bicyclic temporin L peptide inhibitors targeting the SARS-CoV-2 main protease: design, synthesis,RSC medicinal chemistry · 2025Article
- Structure-Guided Temporin L Analogs Development to Inhibit the Main Protease of SARS-CoV‑2.ACS medicinal chemistry letters · 2025Article
- A New Advanced Approach: Design and Screening of Affinity Peptide Ligands Using Computer Simulation Techniques.Current topics in medicinal chemistry · 2024Review
- A review of SARS-CoV-2 variants and vaccines: Viral properties, mutations, vaccine efficacy, and safety.Infectious medicine · 2023Review
- Some common deleterious mutations are shared in SARS-CoV-2 genomes from deceased COVID-19 patients across continents.Scientific reports · 2023Article
- Effects of fine particulate matter (PMCase studies in chemical and environmental engineering · 2023Article
- Evolution of the newest diagnostic methods for COVID-19: a Chinese perspective.Journal of Zhejiang University. Science. B · 2023Review
- A short communication of 2022 dengue outbreak in Bangladesh: a continuous public health threat.Annals of medicine and surgery (2012) · 2023Article
- Insight into vaccination and meteorological factors on daily COVID-19 cases and mortality in Bangladesh.Groundwater for sustainable development · 2023Article
- Large scale peptide screening against main protease of SARS CoV-2.Journal of computational chemistry · 2023Article
- Correlation of Dengue and Meteorological Factors in Bangladesh: A Public Health Concern.International journal of environmental research and public health · 2023Article
- A 30-day follow-up study on the prevalence of SARS-COV-2 genetic markers in wastewater from the residence of COVID-19 patient and comparison with clinical positivity.The Science of the total environment · 2023Article
- XBB.1.5: A new threatening SARS-CoV-2 Omicron subvariant.Frontiers in microbiology · 2023Article
- Variant-specific deleterious mutations in the SARS-CoV-2 genome reveal immune responses and potentials for prophylactic vaccine development.Frontiers in pharmacology · 2023Article
- Potential antiviral peptides against the nucleoprotein of SARS-CoV-2.Chemicke zvesti · 2023Article
- Potential antiviral peptides targeting the SARS-CoV-2 spike protein.BMC pharmacology & toxicology · 2022Article
- Association between Global Monkeypox Cases and Meteorological Factors.International journal of environmental research and public health · 2022Article
- IUP-BERT: Identification of Umami Peptides Based on BERT Features.Foods (Basel, Switzerland) · 2022Article
- Wastewater-based epidemiological surveillance to monitor the prevalence of SARS-CoV-2 in developing countries with onsite sanitation facilities.Environmental pollution (Barking, Essex : 1987) · 2022Article
- An opinion on Wastewater-Based Epidemiological Monitoring (WBEM) with Clinical Diagnostic Test (CDT) for detecting high-prevalence areas of community COVID-19 Infections.Current opinion in environmental science & health · 2022Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
20 authors at 4 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The receptor-binding domain (RBD) of SARS-CoV-2 spike (S) protein plays a vital role in binding and internalization through the alpha-helix (AH) of human angiotensin-converting enzyme 2 (hACE2). Thus, it is a potential target for designing and developing antiviral agents. Inhibition of RBD activity of the S protein may be achieved by blocking RBD interaction with hACE2. In this context, inhibitors with large contact surface area are preferable as they can form a potentially stable complex with RBD of S protein and would not allow RBD to come in contact with hACE2. Peptides represent excellent features as potential anti-RBD agents due to better efficacy, safety, and tolerability in humans compared to that of small molecules. The present study has selected 645 antiviral peptides known to inhibit various viruses and computationally screened them against the RBD of SARS-CoV-2 S protein. In primary screening, 27 out of 645 peptides exhibited higher affinity for the RBD of S protein compared to that of AH of the hACE2 receptor. Subsequently, AVP1795 appeared as the most promising candidate that could inhibit hACE2 recognition by SARS-CoV 2 as was predicted by the molecular dynamics simulation. The critical residues in RBD found for protein-peptide interactions are TYR 489, GLY 485, TYR 505, and GLU 484. Peptide-protein interactions were substantially influenced by hydrogen bonding and hydrophobic interactions. This comprehensive computational screening may provide a guideline to design the most effective peptides targeting the spike protein, which could be studied further in vitro and in vivo for assessing their anti-SARS CoV-2 activity.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
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 OpenQuestion graph.