Evidence map›Paper›PMID 41203702›Full record

ArticleScientific reports2025

Insights from integrated covalent docking and molecular dynamics simulations of nirmatrelvir analogs as potential SARS-CoV-2 M

Mahmoud A A Ibrahim, Doaa M A Khaled, Doaa G M Mahmoud, Alaa H M Abdelrahman, Peter A Sidhom, Yanshuo Han, Tamer Shoeib, Badr Aldahmash, Ahmed Rady

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PubMed Full text at PMC Publisher
In one paragraph

Article in Scientific reports, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

9 authors.

Mahmoud A A IbrahimComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt. m.ibrahim@mu.edu.eg.
Doaa M A KhaledComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Doaa G M MahmoudComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Alaa H M AbdelrahmanComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Peter A SidhomDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt.
Yanshuo HanSchool of Life and Pharmaceutical Sciences, Dalian University of Technology, Panjin, China.
Tamer ShoeibDepartment of Chemistry, The American University in Cairo, New Cairo, 11835, Egypt. t.shoeib@aucegypt.edu.
Badr AldahmashDepartment of Zoology, College of Science, King Saud University, P.O. Box 2455, 11451, Riyadh, Saudi Arabia.
Ahmed RadyDepartment of Zoology, College of Science, King Saud University, P.O. Box 2455, 11451, Riyadh, Saudi Arabia.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The COVID-19 epidemic has posed a considerable challenge to the worldwide economy and public health, underscoring the crucial demand for developing effective antiviral medications. The SARS-CoV-2 main protease (M

Indexed as

Antiviral AgentsCoronavirus 3C ProteasesCOVID-19 Drug TreatmentNitrilesProtease InhibitorsSARS-CoV-2COVID-19HumansLactamsLeucineMolecular Docking SimulationMolecular Dynamics SimulationProlineProtein Binding3C-like proteinase, SARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesLactamsLeucinenirmatrelvirNitrilesProlineProtease InhibitorsCOVID-19Molecular dynamicsNirmatrelvir analogsReversible covalent dockingSARS-CoV-2 Mpro

Identifiers

PMID41203702
PMCPMC12594805

What Socratic holds

Textmetadata
LicenceCC BY-NC-ND
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.