Evidence map›Paper›PMID 41516215›Full record

ArticleInternational journal of molecular sciences2025

In Silico Prediction of Potential pTLR7/pSTING Dual-Targeting Ligands via Virtual Screening and Molecular Dynamics Simulation.

Chang Liu, Zhe Qin, Lixia Bai, Xiao Xu, Wenbo Ge, Zhun Li, Jianyong Li

Abstract read
In one paragraph

Article in International journal of molecular sciences, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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

7 authors.

Chang LiuKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.ORCID 0000-0003-0793-2663
Zhe QinKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.
Lixia BaiKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.
Xiao XuKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.
Wenbo GeKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.
Zhun LiKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.
Jianyong LiKey Laboratory of New Animal Drug of Gansu Province, Key Laboratory of Veterinary Pharmaceutical Development of Ministry of Agriculture, Lanzhou Institute of Husbandry and Pharmaceutical Science of Chinese Academy Agriculture Sciences, Lanzhou 730050, China.ORCID 0000-0003-3317-0666

Funding

The research was supported by Science and Technology Innovation Project of CAAS. 25-LZIHPS-02
6 · The paper itself

Abstract

Toll-like receptor 7 (TLR7) and Stimulator of Interferon Genes (STING) ligands possess a series of immunomodulatory effects such as anti-infection, anti-tumor, and autoimmune-disease-alleviating effects. In this study, porcine TLR7 (pTLR7) and porcine STING (pSTING) were selected as targets, and molecular docking and virtual screening methods were used for screening of dual-target livestock immunomodulators. Finally, two compounds were screened with molecular docking scores higher than the positive control compounds. They have good binding ability with pTLR7 and pSTING proteins, as well as satisfactory predictive safety and pharmacokinetic properties. Molecular dynamics (MD) simulation results also indicated that the above ligands can form stable complexes with two target proteins. The average binding free energies of compound

Indexed as

Membrane ProteinsMolecular Dynamics SimulationToll-Like Receptor 7AnimalsHumansLigandsMiceMolecular Docking SimulationProtein BindingSTING ProteinSwineLigandsMembrane ProteinsSTING ProteinToll-Like Receptor 7dual-targeting drugsmolecular dynamics simulationSTING ligandsTLR7 ligandsvirtual screening

Identifiers

PMID41516215
PMCPMC12785509

What Socratic 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 Socratic graph.