Evidence map›Paper›PMID 36770604›Full record

ArticleMolecules (Basel, Switzerland)2023

Discovery of Novel Chinese Medicine Compounds Targeting 3CL Protease by Virtual Screening and Molecular Dynamics Simulation.

Jin Cheng, Yixuan Hao, Qin Shi, Guanyu Hou, Yanan Wang, Yong Wang, Wen Xiao, Joseph Othman, Junnan Qi, Yuanqiang Wang and 2 more

Open access · goldAbstract read
In one paragraph

Article in Molecules (Basel, Switzerland), 2023. 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
1.0field-weighted citation impact, top 22% 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, 5 citations in OpenAlex.

  1. Review
  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

12 authors at 3 institutions in 2 countries.

Jin ChengSchool of Pharmacy, Jiangsu Vocational College of Medicine, Yancheng 224005, China.
Yixuan HaoDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, National Center of Excellence for Computational Drug Abuse Research, University of Pittsburgh, Pittsburgh, PA 15261, USA.
Qin ShiSchool of Pharmacy, Jiangsu Vocational College of Medicine, Yancheng 224005, China.ORCID 0000-0002-6196-4722
Guanyu HouDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, National Center of Excellence for Computational Drug Abuse Research, University of Pittsburgh, Pittsburgh, PA 15261, USA.
Yanan WangSchool of Pharmacy, Jiangsu Vocational College of Medicine, Yancheng 224005, China.
Yong WangSchool of Pharmacy, Jiangsu Vocational College of Medicine, Yancheng 224005, China.
Wen XiaoSchool of Pharmacy, Jiangsu Vocational College of Medicine, Yancheng 224005, China.
Joseph OthmanDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, National Center of Excellence for Computational Drug Abuse Research, University of Pittsburgh, Pittsburgh, PA 15261, USA.
Junnan QiDepartment of Pharmaceutical Sciences and Computational Chemical Genomics Screening Center, School of Pharmacy, National Center of Excellence for Computational Drug Abuse Research, University of Pittsburgh, Pittsburgh, PA 15261, USA.
Yuanqiang WangSchool of Pharmacy and Bioengineering, Chongqing University of Technology, Chongqing 400054, China.
Yan ChenCollege of Pharmacology Sciences, Zhejiang University of Technology, Hangzhou 310014, China.
Guanghua YuSchool of Pharmacy, Jiangsu Vocational College of Medicine, Yancheng 224005, China.
Jiangsu Vocational College of Medicine · CNUniversity of Pittsburgh · USZhejiang University of Technology · CN

Funding

Natural Science Foundation of Jiangsu Vocational College of Medicine 20204106
6 · The paper itself

Abstract

The transmission and infectivity of COVID-19 have caused a pandemic that has lasted for several years. This is due to the constantly changing variants and subvariants that have evolved rapidly from SARS-CoV-2. To discover drugs with therapeutic potential for COVID-19, we focused on the 3CL protease (3CL

Indexed as

COVID-19Antiviral AgentsEndopeptidasesHumansLigandsMedicine, Chinese TraditionalMolecular Docking SimulationMolecular Dynamics SimulationPeptide HydrolasesProtease InhibitorsSARS-CoV-2Viral Nonstructural ProteinsAntiviral AgentsEndopeptidasesLigandsPeptide HydrolasesProtease InhibitorsViral Nonstructural Proteins3CL proteasemolecular dynamics simulationsSARS-CoV-2traditional Chinese medicinevirtual screening

Identifiers

PMID36770604
PMCPMC9921503
OpenAlexW4317103598

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.