Evidence map›Paper›PMID 39563213›Full record

ArticleCurrent pharmaceutical design2025

Screening of Natural Compounds as Inhibitor of M

Anum Javaid, Nousheen Bibi, Malik Siddique Mahmood, Hina Batool, Sana Batool, Arslan Hamid, Mahjabeen Saleem, Naeem Mahmood Ashraf, Tayyaba Afsar, Ali Almajwal and 1 more

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Article in Current pharmaceutical design, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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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

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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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

11 authors.

Anum JavaidSchool of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan.
Nousheen BibiDepartment of Bioinformatics, Shaheed Benazir Bhutto Women University, Peshawar, Pakistan.
Malik Siddique MahmoodSchool of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan.
Hina BatoolDepartment of Life Science, School of Science, University of Management and Technology, Lahore, Pakistan.
Sana BatoolSchool of Biological Sciences, University of the Punjab, Lahore, Pakistan.
Arslan HamidLIMES Institute, University of Bonn, Bonn, Germany.
Mahjabeen SaleemSchool of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan.
Naeem Mahmood AshrafSchool of Biochemistry and Biotechnology, University of the Punjab, Lahore, Pakistan.
Tayyaba AfsarDepartment of Community Health Sciences, College of Applied Medical Sciences, King Saud University, Riyadh, Saudi Arabia.
Ali AlmajwalDepartment of Community Health Sciences, College of Applied Medical Sciences, King Saud University, Riyadh, Saudi Arabia.
Suhail RazakDepartment of Community Health Sciences, College of Applied Medical Sciences, King Saud University, Riyadh, Saudi Arabia.

Funding

King Saud University, Riyadh, Saudi Arabia RSP2025R502
6 · The paper itself

Abstract

backgroundNew strains of SARS-CoV-2 are continually emerging worldwide. Recently, WHO warned of a severe new wave in Europe. Current vaccines cannot fully prevent reinfection in vaccinated individuals.

aimGiven this issue, recent research focuses on new antiviral candidates with high efficacy and minimal side effects.

objectivesScreen natural compounds as inhibitors of M

methodsIn this study, we have screened the potential of plant-based natural anti-viral compounds. A library of the 579 compounds was generated using currently available literature and online databases. All these compounds were screened based on their binding affinities as predicted by molecular docking analysis and compounds having binding affinity values ≤ -10 Kcal/mol were considered for analysis. Furthermore, from physicochemical assessment, drug-likeness initially nine compounds were identified as the antiviral targets for the selected viral proteins. After ADMET analysis and simulations, the compound 9064 with the lowest RMSD, Coul-SR interaction energy (-71.53 kJ/mol), and LJ-SR energy (-95.32 kJ/mol) was selected as the most stable drug candidate against COVID-19 main protease M

resultsThe ΔG value, calculated using MMGBSA also revealed strong binding of the compound with M

conclusionConsidering the limitations of currently available vaccines, our study may provide new insight into potential drugs that may prevent SARS-CoV-2 infection in humans.

Indexed as

Antiviral AgentsBiological ProductsCoronavirus 3C ProteasesMolecular Dynamics SimulationSARS-CoV-2COVID-19COVID-19 Drug TreatmentHumansMolecular Docking SimulationAntiviral AgentsBiological ProductsCoronavirus 3C Proteasesanti-inflammatoryantioxidant propertiesCOVID-19immunomodulatorynatural anti-viral compoundsSARS-CoV-2.

Identifiers

PMID39563213

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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.