ReviewCurrent pharmacology reports2022
Methylxanthines as Potential Inhibitor of SARS-CoV-2: an In Silico Approach.
Review in Current pharmacology reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers, 1 of them a synthesis that pooled it.
What it found
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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
13 citing papers in PubMed, 1 synthesis or guideline pooled it, 27 citations in OpenAlex.
- A Systematic Review of the Role of Purinergic Signalling Pathway in the Treatment of COVID-19.International journal of molecular sciences · 2023Pooled it
- Pharmacokinetic, toxicological, and molecular interaction assessment of ginger-derived phenolics for SARS-CoV-2 main protease Inhibition.Scientific reports · 2025Article
- Association of dietary intake of theobromine with periodontitis: NHANES 2009-2014.BMC oral health · 2025Article
- Carbon nanomaterials as electrochemical sensors for theophylline: a review.RSC advances · 2024Review
- Biological properties of caffeine, (+)-catechin, and theobromine: an in silico study.3 Biotech · 2024Article
- Review
- An AI-powered patient triage platform for future viral outbreaks using COVID-19 as a disease model.Human genomics · 2023Article
- Inhibitory Activity ofPlants (Basel, Switzerland) · 2023Article
- Fighting cytokine storm and immunomodulatory deficiency: By using natural products therapy up to now.Frontiers in pharmacology · 2023Review
- One stone two birds: anti-inflammatory bronchodilators as a potential pharmacological strategy for COVID-19.Frontiers in pharmacology · 2023Review
- High-Affinity Antibodies Designing of SARS-CoV-2 Based on Molecular Dynamics Simulations.International journal of molecular sciences · 2022Article
- From Cocoa to Chocolate: Effect of Processing on Flavanols and Methylxanthines and Their Mechanisms of Action.International journal of molecular sciences · 2022Review
- Theophylline: Old Drug in a New Light, Application in COVID-19 through Computational Studies.International journal of molecular sciences · 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
11 authors at 6 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The aim of the present study was to test the binding affinity of methylxanthines (caffeine/theine, methylxanthine, theobromine, theophylline and xanthine) to three potential target proteins namely Spike protein (6LZG), main protease (6LU7) and nucleocapsid protein N-terminal RNA binding domain (6M3M) of SARS-CoV-2. Proteins and ligand were generated using AutoDock 1.5.6 software. Binding affinity of methylxanthines with SARS-CoV-2 target proteins was determined using Autodock Vina. MD simulation of the best interacting complexes was performed using GROMACS 2018.3 (in duplicate) and Desmond program version 2.0 (academic version) (in triplicate) to study the stabile interaction of protein-ligand complexes. Among the selected methylxanthines, theophylline showed the best binding affinity with all the three targets of SARS-CoV-2 (6LZG - 5.7 kcal mol Graphical abstract: Supplementary Information: The online version contains supplementary material available at 10.1007/s40495-021-00276-3.
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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.