Evidence map›Paper›PMID 28439742›Full record

ArticleJournal of molecular modeling2017

Exploration of the binding affinities between ecdysone agonists and EcR/USP by docking and MM-PB/GBSA approaches.

Xueping Hu, Jin Xie, Song Hu, Li Zhang, Yanhong Dong

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of molecular modeling, 2017. 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
1.2field-weighted citation impact, top 20% 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

2 citing papers in PubMed, 10 citations in OpenAlex.

  1. Molecular Structure-Based Screening of the Constituents ofCurrent issues in molecular biology · 2022
    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

5 authors at 1 institution in 1 country.

Xueping HuDepartment of Applied Chemistry, College of Science, China Agricultural University, Beijing, 100193, China.
Jin XieDepartment of Applied Chemistry, College of Science, China Agricultural University, Beijing, 100193, China.
Song HuDepartment of Applied Chemistry, College of Science, China Agricultural University, Beijing, 100193, China.
Li ZhangDepartment of Applied Chemistry, College of Science, China Agricultural University, Beijing, 100193, China. zhang_li@cau.edu.cn.ORCID http://orcid.org/0000-0001-6319-1092
Yanhong DongDepartment of Applied Chemistry, College of Science, China Agricultural University, Beijing, 100193, China.
China Agricultural University · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Ecdysone receptor (EcR) is a significant target in the identification of new environmentally friendly pesticides. There are two types of ecdysone agonists: steroidal ecdysone agonists and dibenzoylhydrazines (DBHs). In this study, various modeling methods (homology modeling, molecular docking, MD simulation, binding free energy calculation, and per-residue binding free energy decomposition) were utilized to study the different binding mechanisms of two types of ecdysone agonists. Our theoretical results indicated that the relative binding potencies of DBHs can be ranked sufficiently accurately using the MOE docking method. However, MM/PBSA calculations more accurately predicted the binding affinities between steroidal ecdysone agonists and EcR-LBD. To identify the key residues involved in ecdysone agonist binding, the binding free energy (ΔG

Indexed as

Amino Acid SequenceAnimalsBinding SitesEcdysoneHydrazinesInsecticidesInsect ProteinsModels, MolecularMolecular Docking SimulationPesticidesProtein BindingReceptors, SteroidbenzoylhydrazineEcdysoneecdysone receptorHydrazinesInsecticidesInsect ProteinsPesticidesReceptors, SteroidEcdysone agonistsEcR/USPFree-energy decompositionMM-PBSA/GBSAMolecular docking

Identifiers

PMID28439742
OpenAlexW2608863162

What OpenQuestion holds

Textmetadata
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.