Evidence map›Paper›PMID 39459303›Full record

ArticleMolecules (Basel, Switzerland)2024

Molecular Dynamics (MD) Simulations Provide Insights into the Activation Mechanisms of 5-HT

Meng Cui, Yongcheng Lu, Mihaly Mezei, Diomedes E Logothetis

Abstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.

0numbers the graph read from it
0cells of the map it votes in
4citing 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

4 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. 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.

Meng CuiDepartment of Pharmaceutical Sciences, School of Pharmacy, Bouvé College of Health Sciences, Northeastern University, Boston, MA 02115, USA.ORCID 0000-0002-3895-135X
Yongcheng LuDepartment of Pharmaceutical Sciences, School of Pharmacy, Bouvé College of Health Sciences, Northeastern University, Boston, MA 02115, USA.ORCID 0009-0002-6951-1696
Mihaly MezeiDepartment of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY 10029, USA.ORCID 0000-0003-0294-4307
Diomedes E LogothetisDepartment of Pharmaceutical Sciences, School of Pharmacy, Bouvé College of Health Sciences, Northeastern University, Boston, MA 02115, USA.ORCID 0000-0002-0576-884X

Funding

Molecular mechanism of the bitter taste of HIV/AIDS drugs and its inhibitionR21DC020136 · NIDCD · NORTHEASTERN UNIVERSITY · PI CUI, MENG · 2022 to 2023
$432k
NIH HHS 1R21DC020136-02A1
6 · The paper itself

Abstract

Recent breakthroughs in the determination of atomic resolution 3-D cryo-electron microscopy structures of membrane proteins present an unprecedented opportunity for drug discovery. Structure-based drug discovery utilizing in silico methods enables the study of dynamic connectivity of stable conformations induced by the drug in achieving its effect. With the ever-expanding computational power, simulations of this type reveal protein dynamics in the nano-, micro-, and even millisecond time scales. In the present study, aiming to characterize the protein dynamics of the 5HT

Indexed as

Molecular Dynamics SimulationReceptor, Serotonin, 5-HT2ABinding SitesHumansLigandsLipid BilayersProtein BindingSerotonin 5-HT2 Receptor AgonistsSerotonin 5-HT2 Receptor AntagonistsLigandsLipid BilayersReceptor, Serotonin, 5-HT2ASerotonin 5-HT2 Receptor AgonistsSerotonin 5-HT2 Receptor Antagonists5HT2A receptorconformational changesG-protein-coupled receptor (GPCR)MD simulationsprotein−ligand interactionsreceptor activation

Identifiers

PMID39459303
PMCPMC11510212

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.