Evidence map›Paper›PMID 35955547›Full record

ArticleInternational journal of molecular sciences2022

A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease.

Eslam B Elkaeed, Ibrahim H Eissa, Hazem Elkady, Ahmed Abdelalim, Ahmad M Alqaisi, Aisha A Alsfouk, Alaa Elwan, Ahmed M Metwaly

Open access · goldAbstract read
In one paragraph

Article in International journal of molecular sciences, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers.

0numbers the graph read from it
0cells of the map it votes in
21citing papers in PubMed
7.2field-weighted citation impact, top 2% 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

21 citing papers in PubMed, 48 citations in OpenAlex.

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  7. Computer-assisted drug discovery (CADD) of an anti-cancer derivative of the theobromine alkaloid inhibiting VEGFR-2.Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society · 2023
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  10. Design, synthesis,RSC advances · 2023
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  11. Progress of the "Molecular Informatics" Section in 2022.International journal of molecular sciences · 2023
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  15. Green Synthesized Zinc Oxide Nanoparticles Based onMolecules (Basel, Switzerland) · 2022
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  18. (Molecules (Basel, Switzerland) · 2022
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  19. New Anticancer Theobromine Derivative Targeting EGFRMolecules (Basel, Switzerland) · 2022
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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

8 authors at 4 institutions in 3 countries.

Eslam B ElkaeedDepartment of Pharmaceutical Sciences, College of Pharmacy, AlMaarefa University, Riyadh 13713, Saudi Arabia.ORCID 0000-0002-2546-8035
Ibrahim H EissaPharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.ORCID 0000-0002-6955-2263
Hazem ElkadyPharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.ORCID 0000-0003-0893-6703
Ahmed AbdelalimFaculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.ORCID 0000-0003-4085-0942
Ahmad M AlqaisiDepartment of Chemistry, University of Jordan, Amman 11942, Jordan.
Aisha A AlsfoukDepartment of Pharmaceutical Sciences, College of Pharmacy, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.ORCID 0000-0003-4497-5013
Alaa ElwanPharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.ORCID 0000-0003-4270-616X
Ahmed M MetwalyPharmacognosy and Medicinal Plants Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo 11884, Egypt.ORCID 0000-0001-8566-1980
Al-Azhar University · EGAlfaisal University · SAPrincess Nourah bint Abdulrahman University · SAUniversity of Jordan · JO

Funding

Princess Nourah bint Abdulrahman University PNURSP2022R116
6 · The paper itself

Abstract

Among a group of 310 natural antiviral natural metabolites, our team identified three compounds as the most potent natural inhibitors against the SARS-CoV-2 main protease (PDB ID: 5R84), M

Indexed as

COVID-19 Drug TreatmentSARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesCysteine EndopeptidasesHumansMolecular Docking SimulationMolecular Dynamics SimulationProtease InhibitorsViral Nonstructural Proteins3C-like proteinase, SARS-CoV-2Antiviral AgentsCoronavirus 3C ProteasesCysteine EndopeptidasesProtease InhibitorsViral Nonstructural ProteinsADMETDFTdockingmain proteaseMD simulationspharmacophoricSARS-CoV-2structural similarity

Identifiers

PMID35955547
PMCPMC9369012
OpenAlexW4289134409

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.