Evidence map›Paper›PMID 35875823›Full record

ArticleJournal of King Saud University. Science2022

Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations.

Samir Chtita, Salah Belaidi, Faizan Abul Qais, Mebarka Ouassaf, Muneerah Mogren AlMogren, Ateyah A Al-Zahrani, Mohamed Bakhouch, Assia Belhassan, Hanane Zaki, Mohammed Bouachrine and 1 more

Open access · goldAbstract read
In one paragraph

Article in Journal of King Saud University. Science, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.

0numbers the graph read from it
0cells of the map it votes in
15citing papers in PubMed
6.3field-weighted citation impact, top 3% 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

15 citing papers in PubMed, 47 citations in OpenAlex.

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  12. Molecular Docking and ADME-TOX Profiling ofAdvances in respiratory medicine · 2023
    Article
  13. Review
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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

11 authors at 7 institutions in 4 countries.

Samir ChtitaLaboratory of Analytical and Molecular Chemistry of Sciences Ben M'Sik, Hassan II University of Casablanca, B.P. 7955 Sidi Othmane, Casablanca, Morocco.
Salah BelaidiLaboratory of Molecular Chemistry and Environment, University of Biskra, BP145, 07000 Biskra, Algeria.
Faizan Abul QaisDepartment of Agricultural Microbiology, Faculty of Agricultural Sciences, Aligarh Muslim University, Aligarh, UP 202002, India.
Mebarka OuassafLaboratory of Molecular Chemistry and Environment, University of Biskra, BP145, 07000 Biskra, Algeria.
Muneerah Mogren AlMogrenDepartment of Chemistry, Faculty of Sciences, King Saud University, Riyadh 11451, Saudi Arabia.
Ateyah A Al-ZahraniChemical Engineering Department, College of Engineering, King Saud University, Riyadh 11451, Saudi Arabia.
Mohamed BakhouchLaboratory of Bioorganic Chemistry, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, P.O. Box 24, El Jadida M-24000, Morocco.
Assia BelhassanMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University, B.P. 11201 Zitoune, Meknes, Morocco.
Hanane ZakiHigher School of Technology Khenifra, Sultane Moulay Slimane University, Khenifra, Morocco.
Mohammed BouachrineMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University, B.P. 11201 Zitoune, Meknes, Morocco.
Tahar LakhlifiMolecular Chemistry and Natural Substances Laboratory, Faculty of Science, Moulay Ismail University, B.P. 11201 Zitoune, Meknes, Morocco.
Université Moulay Ismail de Meknes · MAKing Saud University · SAUniversity of Biskra · DZAligarh Muslim University · INChouaib Doukkali University · MAUniversité Sultan Moulay Slimane · MAUniversity of Hassan II Casablanca · MA

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

COVID-19 pandemic caused by very severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) agent is an ongoing major global health concern. The disease has caused more than 452 million affected cases and more than 6 million death worldwide. Hence, there is an urgency to search for possible medications and drug treatments. There are no approved drugs available to treat COVID-19 yet, although several vaccine candidates are already available and some of them are listed for emergency use by the world health organization (WHO). Identifying a potential drug candidate may make a significant contribution to control the expansion of COVID-19. The

Indexed as

COVID-19COVID-19, coronavirus disease 2019CYP, cytochrome P450DisulfidesHBA, hydrogen bond acceptorHBD, hydrogen bond donorMain proteaseMD, molecular dynamicsMolecular dockingMolecular dynamicsMpro, Main proteasePDB, Protein Data BankPSA, polar surface areaRB, rotatable bond countRg, radius of gyrationRMSD, root-mean-square deviationRMSF, root-mean-square fluctuationSARS-CoV-2SARS-CoV-2, severe acute respiratory syndrome coronavirus-2SASA, solvent-accessible surface areaSMILES, simplified molecular input line entry systemWHO, World Health Organization

Identifiers

PMID35875823
PMCPMC9296233
OpenAlexW4286250246

What OpenQuestion holds

Textmetadata
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.