Evidence map›Paper›PMID 33713492›Full record

ArticleJournal of computational chemistry2021

Drug repositioning to target NSP15 protein on SARS-CoV-2 as possible COVID-19 treatment.

Yudibeth Sixto-López, Marlet Martínez-Archundia

Open access · bronzeAbstract read
In one paragraph

Article in Journal of computational chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
2.4field-weighted citation impact, top 10% 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

9 citing papers in PubMed, 17 citations in OpenAlex.

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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

2 authors at 1 institution in 1 country.

Yudibeth Sixto-LópezLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Ciudad de México, Mexico.ORCID 0000-0001-8903-3834
Marlet Martínez-ArchundiaLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotecnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Sección de Estudios de Posgrado e Investigación, Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Salvador Díaz Mirón s/n, Casco de Santo Tomás, Ciudad de México, Mexico.ORCID 0000-0002-6140-8953
Instituto Politécnico Nacional · MX

Funding

Instituto Politécnico Nacional
6 · The paper itself

Abstract

SARS-CoV and SARS-CoV-2 belong to the subfamily Coronaviridae and infect humans, they are constituted by four structural proteins: Spike glycoprotein (S), membrane (M), envelope (E) and nucleocapsid (N), and nonstructural proteins, such as Nsp15 protein which is exclusively present on nidoviruses and is absent in other RNA viruses, making it an ideal target in the field of drug design. A virtual screening strategy to search for potential drugs was proposed, using molecular docking to explore a library of approved drugs available in the DrugBank database in order to identify possible NSP15 inhibitors to treat Covid19 disease. We found from the docking analysis that the antiviral drugs: Paritaprevir and Elbasvir, currently both approved for hepatitis C treatment which showed some of the lowest free binding energy values were considered as repositioning drugs to combat SARS-CoV-2. Furthermore, molecular dynamics simulations of the Apo and Holo-Nsp15 systems were performed in order to get insights about the stability of these protein-ligand complexes.

Indexed as

COVID-19 Drug TreatmentAntiviral AgentsBenzofuransCOVID-19CyclopropanesDrug RepositioningEndoribonucleasesHumansImidazolesLactams, MacrocyclicMolecular Docking SimulationMolecular Targeted TherapyProlineSARS-CoV-2SulfonamidesViral Nonstructural ProteinsAntiviral AgentsBenzofuransCyclopropaneselbasvirEndoribonucleasesImidazolesLactams, Macrocyclicnidoviral uridylate-specific endoribonucleaseparitaprevirProlineSulfonamidesViral Nonstructural ProteinsCOVID-19Elbasvirmolecular dynamic simulationNsp15ParitaprevirSARS-CoV-2

Identifiers

PMID33713492
PMCPMC8250597
OpenAlexW3138849695

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.