Evidence map›Paper›PMID 34854039›Full record

ArticleMethods in molecular biology (Clifton, N.J.)2022

Drug Meets Monolayer: Understanding the Interactions of Sterol Drugs with Models of the Lung Surfactant Monolayer Using Molecular Dynamics Simulations.

Sheikh I Hossain, Mohammad Z Islam, Suvash C Saha, Evelyne Deplazes

Abstract read
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In one paragraph

Article in Methods in molecular biology (Clifton, N.J.), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. RSC advances · 2025
    Article
  2. 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.

Sheikh I HossainSchool of Life Sciences, University of Technology Sydney, Ultimo, NSW, Australia.
Mohammad Z IslamSchool of Mechanical and Mechatronic Engineering, University of Technology Sydney, Ultimo, NSW, Australia.
Suvash C SahaSchool of Mechanical and Mechatronic Engineering, University of Technology Sydney, Ultimo, NSW, Australia.
Evelyne DeplazesSchool of Life Sciences, University of Technology Sydney, Ultimo, NSW, Australia. evelyne.deplazes@uts.edu.au.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The lung surfactant monolayer (LSM) is a thin layer of lipids and proteins that forms the air/water interface of the alveoli. The primary function of the LSM is to reduce the surface tension at the air/water interface during breathing. The LSM also forms the main biological barrier for any inhaled particles, including drugs, to treat lung diseases. Elucidating the mechanism by which these drugs bind to and absorb into the LSM requires a molecular-level understanding of any drug-induced changes to the morphology, structure, and phase changes of the LSM.Molecular dynamics simulations have been used extensively to study the structure and dynamics of the LSM. The monolayer is usually simulated in at least two states: the compressed state, mimicking exhalation, and the expanded state, mimicking inhalation. In this chapter, we provide detailed instructions on how to set up, run, and analyze coarse-grained MD simulations to study the concentration-dependent effect of a sterol drug on the LSM, both in the expanded and compressed state.

Indexed as

LungMolecular Dynamics SimulationPharmaceutical PreparationsPulmonary SurfactantsSterolsSurface-Active AgentsSurface TensionWaterPharmaceutical PreparationsPulmonary SurfactantsSterolsSurface-Active AgentsWaterDrug-lipid interactionsLung surfactant monolayerMolecular dynamics simulationsMolecular interactionsPulmonary surfactantsSterol drugs

Identifiers

PMID34854039

What OpenQuestion holds

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Registered trials

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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.