ArticleFrontiers in pharmacology2021
An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants.
Article in Frontiers in pharmacology, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers, 1 of them a synthesis that pooled 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.
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
24 citing papers in PubMed, 1 synthesis or guideline pooled it, 50 citations in OpenAlex.
- Exploring the Therapeutic Potential of Bromelain: Applications, Benefits, and Mechanisms.Nutrients · 2024Pooled it
- Terpesomes as Advanced Nanocarriers for Enhanced Drug Delivery: Formulation Strategies, Mechanistic Insights, and Therapeutic Applications.AAPS PharmSciTech · 2026Review
- Cytotoxic Activity of Halymenia durvillaei against Cervical Cancer Cells: In Vitro and Computational Evidence.Cell biochemistry and biophysics · 2026Article
- Tableting of nanoparticle-based formulations for oral delivery: Enhancing biopharmaceutical performance.Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences · 2026Review
- An immunoinformatics approach in designing high-coverage mRNA multi-epitope vaccine against multivariant SARS-CoV-2.Journal, genetic engineering & biotechnology · 2025Article
- Structural and functional analysis of the accessory gene regulators of Staphylococcus aureus and Staphylococcus epidermidis: an in Silico approach.BMC microbiology · 2025Article
- Antiviral effect of Bromelain combined with acetylcysteine against SARS-CoV-2 Omicron variant.Scientific reports · 2025Article
- Targeting SARS-CoV-2 variants with Bromelain: an in-silico study of Spike-ACE2 inhibition using docking, molecular dynamic simulation, and MM-PBSA.In silico pharmacology · 2025Article
- Understanding the characteristic behaviour of the wild-type and mutant structure of FLT3 protein by computational methods.Computational and structural biotechnology journal · 2025Article
- In Silico Exploration of Isoxazole Derivatives of Usnic Acid: Novel Therapeutic Prospects Against α-Amylase for Diabetes Treatment.Cell biochemistry and biophysics · 2024Article
- Uncovering anti-inflammatory potential ofNarra J · 2024Article
- A computational simulation appraisal of banana lectin as a potential anti-SARS-CoV-2 candidate by targeting the receptor-binding domain.Journal, genetic engineering & biotechnology · 2023Article
- A Comprehensive Update of Various Attempts by Medicinal Chemists to Combat COVID-19 through Natural Products.Molecules (Basel, Switzerland) · 2023Review
- Benzimidazole compound abrogates SARS-COV-2 receptor-binding domain (RBD)/ACE2 interaction In vitro.Microbial pathogenesis · 2023Article
- Article
- Modern drug discovery applications for the identification of novel candidates for COVID-19 infections.Annals of medicine and surgery (2012) · 2022Review
- Comparative overview of emerging RNA viruses: Epidemiology, pathogenesis, diagnosis and current treatment.Annals of medicine and surgery (2012) · 2022Review
- Ex-vivo mucolytic and anti-inflammatory activity of BromAc in tracheal aspirates from COVID-19.Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie · 2022Article
- Can the SARS-CoV-2 Omicron Variant Confer Natural Immunity against COVID-19?Molecules (Basel, Switzerland) · 2022Review
- Fruit Bromelain-Derived Peptide Potentially Restrains the Attachment of SARS-CoV-2 Variants to hACE2: A Pharmacoinformatics Approach.Molecules (Basel, Switzerland) · 2022Article
Corrections and comments
- Commented on by
Authors and funding
16 authors at 10 institutions in 5 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The rapid spread of a novel coronavirus known as SARS-CoV-2 has compelled the entire world to seek ways to weaken this virus, prevent its spread and also eliminate it. However, no drug has been approved to treat COVID-19. Furthermore, the receptor-binding domain (RBD) on this viral spike protein, as well as several other important parts of this virus, have recently undergone mutations, resulting in new virus variants. While no treatment is currently available, a naturally derived molecule with known antiviral properties could be used as a potential treatment. Bromelain is an enzyme found in the fruit and stem of pineapples. This substance has been shown to have a broad antiviral activity. In this article, we analyse the ability of bromelain to counteract various variants of the SARS-CoV-2 by targeting bromelain binding on the side of this viral interaction with human angiotensin-converting enzyme 2 (hACE2) using molecular docking and molecular dynamics simulation approaches. We have succeeded in making three-dimensional configurations of various RBD variants using protein modelling. Bromelain exhibited good binding affinity toward various variants of RBDs and binds right at the binding site between RBDs and hACE2. This result is also presented in the modelling between Bromelain, RBD, and hACE2. The molecular dynamics (MD) simulations study revealed significant stability of the bromelain and RBD proteins separately up to 100 ns with an RMSD value of 2 Å. Furthermore, despite increases in RMSD and changes in Rog values of complexes, which are likely due to some destabilized interactions between bromelain and RBD proteins, two proteins in each complex remained bonded, and the site where the two proteins bind remained unchanged. This finding indicated that bromelain could have an inhibitory effect on different SARS-CoV-2 variants, paving the way for a new SARS-CoV-2 inhibitor drug. However, more
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.