Evidence map›Paper›PMID 39371992›Full record

ArticleACS omega2024

AILDE Computer-Aided Discovery of Novel Ibuprofen-Coumarin Antitumor Lead Compounds Targeting Cyclooxygenase-2.

Fengxu Wu, Tianshuai Wang, Xiaoyu Tang, Sirui Dong, Lun Luo, Chao Luo, Junkai Ma, Yanggen Hu

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in ACS omega, 2024. 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
–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

1 citing paper in PubMed.

  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

8 authors.

Fengxu WuSchool of Pharmaceutical Sciences and Institute of Medicinal Chemistry, Hubei University of Medicine, Shiyan 442000, China.ORCID https://orcid.org/0009-0004-8768-320X
Tianshuai WangSchool of Pharmaceutical Sciences and Institute of Medicinal Chemistry, Hubei University of Medicine, Shiyan 442000, China.
Xiaoyu TangSchool of Pharmaceutical Sciences and Institute of Medicinal Chemistry, Hubei University of Medicine, Shiyan 442000, China.
Sirui DongTaihe Hospital, China Anti-aging Center of Affiliated Hospital of Hubei University of Medicine, Shiyan 442000, China.
Lun LuoSchool of Pharmaceutical Sciences and Institute of Medicinal Chemistry, Hubei University of Medicine, Shiyan 442000, China.
Chao LuoHubei Key Laboratory of Wudang Local Chinese Medicine Research, Hubei University of Medicine, Shiyan 442000, China.
Junkai MaSchool of Pharmaceutical Sciences and Institute of Medicinal Chemistry, Hubei University of Medicine, Shiyan 442000, China.
Yanggen HuSchool of Pharmaceutical Sciences and Institute of Medicinal Chemistry, Hubei University of Medicine, Shiyan 442000, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Starting from three ibuprofen-coumarin hit compounds, we designed 18 derivative compounds targeting cyclooxygenase-2 (COX-2) by introducing different substituents onto them by using the computational auto in silico ligand directing evolution (AILDE) method. After synthesizing and testing the activity, we found that 6 representative compounds have micromolar enzyme inhibitory activity against COX-2. Additionally, 16 compounds have shown certain inhibitory activity in cervical cancer cells. Among these compounds,

Identifiers

PMID39371992
PMCPMC11447854

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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.