Evidence map›Paper›PMID 38024720›Full record

ArticleACS omega2023

Spectral Analysis on Cuba-Lumacaftor: Cubane as Benzene Bioisosteres of Lumacaftor.

Dongdong Wang, Xiaohong Lyu, Mengtao Sun, Yongqiang Liang

Open access · goldAbstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
0.2field-weighted citation impact, top 40% 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

1 citing paper in PubMed, 1 citations in OpenAlex.

  1. 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 2 institutions in 1 country.

Dongdong WangDepartment of Radiology, The First Affiliated Hospital of Jinzhou Medical University, Jinzhou, Liaoning 121004, China.
Xiaohong LyuDepartment of Radiology, The First Affiliated Hospital of Jinzhou Medical University, Jinzhou, Liaoning 121004, China.
Mengtao SunSchool of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China.ORCID https://orcid.org/0000-0002-8153-2679
Yongqiang LiangDepartment of Central Sterile Supply, The First Affiliated Hospital of Jinzhou Medical University, Jinzhou, Liaoning 121004, China.
Jinzhou Medical University · CNUniversity of Science and Technology Beijing · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In this paper, we theoretically investigate the electronic structure and physical properties of cuba-lumacaftor, cubane as benzene bioisosteres of lumacaftor, stimulated by recent experimental reports [Wiesenfeldt M. P.; Nature2023, 618, 513-518]. The permanent electric dipole moments of cuba-lumacaftor in neutral, acidic, and alkaline environments are significantly enlarged than that of lumacaftor, significantly promoting the interaction between cuba-lumacaftor and surrounding polar solvent environments and resulting in pH-independent high solubility and pharmacological activity. Furthermore, electronic circular dichroism (ECD) spectra reveal that the chirality of cuba-lumacaftor is much decreased compared to that of lumacaftor. Raman spectra and resonance Raman spectra combined with polarizability also reveal the vibrational information on cuba-lumacaftor. Our results promote a deeper understanding of better pharmacological activity.

Identifiers

PMID38024720
PMCPMC10652726
OpenAlexW4388283568

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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.