Evidence map›Paper›PMID 38675646›Full record

ArticleMolecules (Basel, Switzerland)2024

The Prediction of LptA and LptC Protein-Protein Interactions and Virtual Screening for Potential Inhibitors.

Yixin Ren, Wenting Dong, Yan Li, Weiting Cao, Zengshuo Xiao, Ying Zhou, Yun Teng, Xuefu You, Xinyi Yang, Huoqiang Huang and 1 more

Open access · goldAbstract 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 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
0.6field-weighted citation impact, top 30% 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

3 citing papers in PubMed, 2 citations in OpenAlex.

  1. Article
  2. Engineering broad-spectrum phage-resistantApplied and environmental microbiology · 2025
    Article
  3. Review
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

11 authors at 2 institutions in 1 country.

Yixin RenKey Laboratory of Mass Spectrometry Imaging and Metabolomics (Minzu University of China), National Ethnic Affairs Commission, Beijing 100081, China.ORCID 0000-0002-8499-4545
Wenting DongBeijing Key Laboratory of Antimicrobial Agents, Laboratory of Pharmacology, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China.
Yan LiSchool of Pharmacy, Minzu University of China, Beijing 100081, China.
Weiting CaoSchool of Pharmacy, Minzu University of China, Beijing 100081, China.
Zengshuo XiaoSchool of Pharmacy, Minzu University of China, Beijing 100081, China.
Ying ZhouSchool of Pharmacy, Minzu University of China, Beijing 100081, China.
Yun TengSchool of Pharmacy, Minzu University of China, Beijing 100081, China.
Xuefu YouBeijing Key Laboratory of Antimicrobial Agents, Laboratory of Pharmacology, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China.ORCID 0000-0003-2156-1408
Xinyi YangBeijing Key Laboratory of Antimicrobial Agents, Laboratory of Pharmacology, Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China.ORCID 0000-0002-1052-7821
Huoqiang HuangSchool of Pharmacy, Minzu University of China, Beijing 100081, China.
Hao WangKey Laboratory of Mass Spectrometry Imaging and Metabolomics (Minzu University of China), National Ethnic Affairs Commission, Beijing 100081, China.ORCID 0000-0002-9971-1237
Minzu University of China · CNChinese Academy of Medical Sciences & Peking Union Medical College · CN

Funding

the CAMS Innovation Fund for Medical Sciences (CIFMS) 2021-I2M-1-039the Fundamental Research Funds for the Central Universities (Minzu University of China) 2023QNYL17the National Natural Science Foundation of China 82173694the National Natural Science Foundation of China 82330110the National Science and Technology Infrastructure of China Project No. National Pathogen Resource Center-NPRC-32
6 · The paper itself

Abstract

Antibiotic resistance in Gram-negative bacteria remains one of the most pressing challenges to global public health. Blocking the transportation of lipopolysaccharides (LPS), a crucial component of the outer membrane of Gram-negative bacteria, is considered a promising strategy for drug discovery. In the transportation process of LPS, two components of the LPS transport (Lpt) complex, LptA and LptC, are responsible for shuttling LPS across the periplasm to the outer membrane, highlighting their potential as targets for antibacterial drug development. In the current study, a protein-protein interaction (PPI) model of LptA and LptC was constructed, and a molecular screening strategy was employed to search a protein-protein interaction compound library. The screening results indicated that compound 18593 exhibits favorable binding free energy with LptA and LptC. In comparison with the molecular dynamics (MD) simulations on currently known inhibitors, compound 18593 shows more stable target binding ability at the same level. The current study suggests that compound 18593 may exhibit an inhibitory effect on the LPS transport process, making it a promising hit compound for further research.

Indexed as

Anti-Bacterial AgentsBacterial ProteinsCarrier ProteinsLipopolysaccharidesDrug DiscoveryGram-Negative BacteriaMolecular Docking SimulationMolecular Dynamics SimulationProtein BindingAnti-Bacterial AgentsBacterial ProteinsCarrier ProteinsLipopolysaccharidesantibiotic resistanceCADDgram-negative bacterialipopolysaccharide transportprotein–protein interaction

Identifiers

PMID38675646
PMCPMC11052386
OpenAlexW4394879045

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.