Evidence map›Paper›PMID 38474656›Full record

ArticleMolecules (Basel, Switzerland)2024

SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein.

Aqsa Salamat, Naveen Kosar, Ayesha Mohyuddin, Muhammad Imran, Muhammad Nauman Zahid, Tariq Mahmood

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 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
4.3field-weighted citation impact, top 5% 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

6 citing papers in PubMed, 12 citations in OpenAlex.

  1. Proteome conserved multi-epitope-based vaccine construct against Nipah virus.Naunyn-Schmiedeberg's archives of pharmacology · 2026
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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

6 authors at 3 institutions in 3 countries.

Aqsa SalamatDepartment of Chemistry, University of Management and Technology (UMT), C-II, Johar Town, Lahore 54770, Pakistan.ORCID 0009-0005-9481-034X
Naveen KosarDepartment of Chemistry, University of Management and Technology (UMT), C-II, Johar Town, Lahore 54770, Pakistan.
Ayesha MohyuddinDepartment of Chemistry, University of Management and Technology (UMT), C-II, Johar Town, Lahore 54770, Pakistan.ORCID 0000-0003-1994-5584
Muhammad ImranDepartment of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia.ORCID 0000-0003-4072-4997
Muhammad Nauman ZahidDepartment of Biology, College of Science, University of Bahrain, Sakhir P.O. Box 32038, Bahrain.ORCID 0000-0002-8322-9294
Tariq MahmoodDepartment of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan.ORCID 0000-0001-8850-9992
University of Management and Technology · PKUniversity of Bahrain · BHKing Khalid University · SA

Funding

Higher Education Commission 20-16279/NRPU/HEC/2021-2020King Khalid University R.G.P. 2/570/44
6 · The paper itself

Abstract

The SARS-CoV-2 virus and its mutations have affected human health globally and created significant danger for the health of people all around the world. To cure this virus, the human Angiotensin Converting Enzyme-2 (ACE2) receptor, the SARS-CoV-2 main protease (Mpro), and spike proteins were found to be likely candidates for the synthesis of novel therapeutic drug. In the past, proteins were capable of engaging in interaction with a wide variety of ligands, including both manmade and plant-derived small molecules.

Indexed as

Coronavirus 3C ProteasesCOVID-19AnimalsCricetinaeHumansKaempferolsLigandsMesocricetusMolecular Docking SimulationMolecular Dynamics SimulationProtease InhibitorsSARS-CoV-2Spike Glycoprotein, Coronavirus3C-like proteinase, SARS-CoV-2Coronavirus 3C ProteasesKaempferolsLigandsProtease InhibitorsSpike Glycoprotein, Coronavirusspike protein, SARS-CoV-2COVID-19density functional theory (DFT)molecular docking (MD)molecular dynamics simulationpharmacokineticsstructure–activity relationship (SAR)

Identifiers

PMID38474656
PMCPMC10934104
OpenAlexW4392382055

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.