Evidence map›Paper›PMID 36884131›Full record

ArticleJournal of molecular modeling2023

Threat of respiratory syncytial virus infection knocking the door: a proposed potential drug candidate through molecular dynamics simulations, a future alternative.

Debanjan Mitra, Shagufta Afreen, Pradeep K Das Mohapatra, Mohnad Abdalla

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of molecular modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
6.2field-weighted citation impact, top 3% of its field
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

8 citing papers in PubMed, 29 citations in OpenAlex.

  1. Article
  2. Review
  3. Bioactive Flavonoids and Phenolic Acids ofCurrent drug discovery technologies · 2026
    Article
  4. Article
  5. Current drug discovery technologies · 2026
    Article
  6. Article
  7. Bioactive compounds fromIn silico pharmacology · 2024
    Article
  8. Article
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

4 authors at 3 institutions in 2 countries.

Debanjan MitraDept. of Microbiology, Raiganj University, Raiganj, WB, 733134, India.
Shagufta AfreenCAS Key laboratory of Biobased material, Qingdao Institute of Bioenergy and Bioprocess Technology Chinese Academy of Sciences, Qingdao, Shandong, 266101, People's Republic of China.
Pradeep K Das MohapatraDept. of Microbiology, Raiganj University, Raiganj, WB, 733134, India. pkdmvu@gmail.com.
Mohnad AbdallaPediatric Research Institute, Children's Hospital Affiliated to Shandong University, Jinan, Shandong, 250022, People's Republic of China. mohnadabdalla200@gmail.com.
Raiganj University · INChinese Academy of Sciences · CNShandong University · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The discovery of antiviral approaches to prevent or cure respiratory syncytial virus (RSV) infections is critical, particularly because RSV is one of the most common causes of infant respiratory problems. There is currently no approved vaccination available to treat RSV infections. FDA has approved the drug ribavirin, but it is not sufficient to treat RSV. This work aimed to find and study in silico anti-RSV drugs that target matrix protein and nucleoprotein. In this study, we have identified five drug candidates that had better binding energies than ribavirin. Garenoxacin appeared as top lead compounds between them. AutoDock Vina was used to execute molecular docking of a library of chosen chemicals. The high-score compound was then confirmed using the Maestro 12.3 module's molecular dynamics simulation and the binding energies derived using Prime/Molecular Mechanics Generalized Born Surface Area (Prime/MM-GBSA). Comparative molecular dynamics simulations revealed that garenoxacin has better stability and high residue contacts with high binding affinity than ribavirin. This study showed garenoxacin could prevent RSV infection better than ribavirin. In pursuing a more effective RSV control drug, additional research into these chemicals in vitro and in vivo is essential.

Indexed as

Respiratory Syncytial Virus InfectionsAntiviral AgentsHumansMolecular Docking SimulationMolecular Dynamics SimulationRibavirinAntiviral AgentsRibavirinGarenoxacinMolecular dynamics simulationRespiratory syncytial virusRibavirin

Identifiers

PMID36884131
OpenAlexW4323532906

What OpenQuestion holds

Textmetadata
Read underepoch 390

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 OpenQuestion graph.