Evidence map›Paper›PMID 41169997›Full record

ArticleRSC advances2025

Structure-based design of orthosteric and allosteric CCR2 inhibitors for potential IPF therapy.

Gaofei Yan, Jianliang Huang, Ziyuan Huang, Shufang Luo, Haiying Guo, Shun Tao, Enping Li, Ying Liu, Jiangyuan Huang, Yanlin Liu and 4 more

Abstract read
In one paragraph

Article in RSC advances, 2025. 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

14 authors.

Gaofei YanZhangjiajie College Zhangjiajie Hunan China mingshenglei@163.com.ORCID https://orcid.org/0009-0004-9486-0411
Jianliang HuangZhangjiajie College Zhangjiajie Hunan China mingshenglei@163.com.
Ziyuan HuangComputational Medicine and Epidemiology Laboratory (CMEL), Guangdong Medical University Zhanjiang China.
Shufang LuoDepartment of Respiratory and Critical Care Medicine, The Fifth Affiliated Hospital, Southern Medical University China.
Haiying GuoDepartment of Respiratory and Critical Care Medicine, The Fifth Affiliated Hospital, Southern Medical University China.
Shun TaoDepartment of Pulmonary and Critical Care Medicine, Zhangjiajie Hospital Affiliated to Hunan Normal University Zhangjiajie Hunan China.
Enping LiZhangjiajie College Zhangjiajie Hunan China mingshenglei@163.com.
Ying LiuZhangjiajie College Zhangjiajie Hunan China mingshenglei@163.com.
Jiangyuan HuangGuangdong Cardiovascular Institute, Guangdong Provincial People's Hospital (Guangdong Academy of Medical Sciences), Southern Medical University Guangzhou 510080 PR China.
Yanlin LiuComputational Medicine and Epidemiology Laboratory (CMEL), Guangdong Medical University Zhanjiang China.
Zimeng LiuZhongshan School of Medicine, Sun Yat-Sen University Guangzhou Campus Guangzhou China.
Shuang ZhaoZhangjiajie College Zhangjiajie Hunan China mingshenglei@163.com.
Jing ChenDepartment of Cardiovascular Disease, The First Affiliated Hospital of Guangzhou University of Chinese Medicine Guangzhou Guangdong China.
Mingsheng LeiZhangjiajie College Zhangjiajie Hunan China mingshenglei@163.com.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Idiopathic pulmonary fibrosis (IPF) is a fatal respiratory disease with an extremely poor prognosis. Our previous studies revealed that CCR2 (C-C chemokine receptor type 2) expression is significantly upregulated in bleomycin-induced pulmonary fibrosis in mice. Moreover, bioinformatics analysis indicated that higher CCR2 expression is associated with poorer prognosis in patients. Therefore, we proposed a novel dual-target intervention strategy focused on the orthosteric and allosteric binding sites of the CCR2 receptor. By integrating structure-based pharmacophore modeling, 3D-QSAR, common feature pharmacophore modeling, and large-scale virtual screening (covering 152 406 molecules), we successfully identified two candidate small molecules, compound 17 and compound 67, that exhibit high site selectivity. Molecular dynamics (MD) simulations, principal component analysis (PCA), and potential energy surface analyses

Identifiers

PMID41169997
PMCPMC12570389

What OpenQuestion holds

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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.