Evidence map›Paper›PMID 36977932›Full record

ArticleFunctional & integrative genomics2023

Molecular mechanism study and tumor heterogeneity of Chinese angelica and Fructus aurantii in the treatment of colorectal cancer through computational and molecular dynamics.

He Huang, Chunlian Ke, Dongdong Zhang, Jiezhong Wu, Peng Zhang

RetractedAbstract readRetracted Publication
PubMed Publisher
In one paragraph

Article in Functional & integrative genomics, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. It has been retracted, and should not be counted. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
1.0field-weighted citation impact, top 26% 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, 4 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

5 authors at 3 institutions in 1 country.

He Huang *Department of General Surgery, The Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, 510630, China.
Chunlian Ke *Department of General Surgery, The Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, 510630, China.
Dongdong ZhangSchool of Life Sciences, Shihezi University, Shihezi, 832003, China. sedate@stu.shzu.edu.cn.
Jiezhong WuDepartment of General Surgery, The Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, 510630, China. wujzh7@mail.sysu.edu.cn.
Peng ZhangDepartment of General Surgery, The Third Affiliated Hospital of Sun Yat-sen University, Guangzhou, 510630, China. zhangp79@mail.sysu.edu.cn.
Third Affiliated Hospital of Sun Yat-sen University · CNShihezi University · CNSun Yat-sen University · CN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

objectiveScreening Chinese angelica (CHA) and Fructus aurantii (FRA) for ingredients with therapeutic effects on colorectal cancer (CRC) and discovering novel targets for the prevention or treatment of CRC.

methodsTCMSP database as a starting point for the initial selection of ingredients and targets, we screened and validated the ingredients and targets of CHA and FRA using tools such as Autodock Vina, R 4.2.0, and GROMACS. To obtain the pharmacokinetic information of the active ingredients, we performed ADMET prediction and consulted a large number of works related to CRC cell lines for the discussion and validation of the results.

resultsMolecular dynamics simulation results showed the complexes formed between these components and targets can exist in a very stable tertiary structure under the human environment, and their side effects can be ignored.

conclusionsOur study successfully explains the effective mechanism of CHA and FRA for improving CRC while predicting the potential targets PPARG, AKT1, RXRA, and PPARA of CHA and FRA for CRC treatment, which provides a new foundation for investigating the novel compounds of TCMs and a new direction for subsequent CRC research.

Indexed as

CitrusColorectal NeoplasmsDrugs, Chinese HerbalFruitHumansMolecular Docking SimulationMolecular Dynamics SimulationDrugs, Chinese HerbalBiocomputingChinese angelicaColorectal cancerFructus aurantiaMolecular heterogeneity

Identifiers

PMID36977932
OpenAlexW4361212662

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.