Evidence map›Paper›PMID 33693066›Full record

ArticleHeliyon2021

Structural analogues of existing anti-viral drugs inhibit SARS-CoV-2 RNA dependent RNA polymerase: A computational hierarchical investigation.

Md Kamrul Hasan, Mohammad Kamruzzaman, Omar Hamza Bin Manjur, Araf Mahmud, Nazmul Hussain, Muhammad Shafiul Alam Mondal, Md Ismail Hosen, Martiniano Bello, Atiqur Rahman

Open access · goldAbstract read
In one paragraph

Article in Heliyon, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing papers in PubMed
1.0field-weighted citation impact, top 22% 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

11 citing papers in PubMed, 22 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Article
  6. Review
  7. Nucleotide and nucleoside-based drugs: past, present, and future.Saudi journal of biological sciences · 2022
    Review
  8. Review
  9. Review
  10. Potential inhibitors of SARS-CoV-2 (COVID 19) proteases PLCurrent research in pharmacology and drug discovery · 2021
    Article
  11. 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 at 4 institutions in 2 countries.

Md Kamrul HasanDepartment of Biochemistry and Molecular Biology, Tejgaon College, National University, Gazipur 1704, Bangladesh.
Mohammad KamruzzamanDepartment of Biochemistry and Molecular Biology, University of Dhaka, Dhaka 1000, Bangladesh.
Omar Hamza Bin ManjurDepartment of Biochemistry and Molecular Biology, University of Dhaka, Dhaka 1000, Bangladesh.
Araf MahmudDepartment of Genetic Engineering and Biotechnology, Shahjalal University of Science and Technology, Sylhet, 3114, Bangladesh.
Nazmul HussainDepartment of Biochemistry and Molecular Biology, Tejgaon College, National University, Gazipur 1704, Bangladesh.
Muhammad Shafiul Alam MondalDepartment of Biochemistry and Molecular Biology, University of Dhaka, Dhaka 1000, Bangladesh.
Md Ismail HosenDepartment of Biochemistry and Molecular Biology, University of Dhaka, Dhaka 1000, Bangladesh.
Martiniano BelloLaboratorio de Diseño y Desarrollo de Nuevos Fármacos e Innovación Biotécnológica (Laboratory for the Design and Development of New Drugs and Biotechnological Innovation), Escuela Superior de Medicina, Instituto Politécnico Nacional, Plan de San Luis y Díaz Mirón, Ciudad de México 11340, Mexico.
Atiqur RahmanDepartment of Biochemistry and Molecular Biology, University of Dhaka, Dhaka 1000, Bangladesh.
University of Dhaka · BDNational University Bangladesh · BDInstituto Politécnico Nacional · MXShahjalal University of Science and Technology · BD

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The Coronavirus Disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) became a pandemic, resulting in an exponentially increased mortality globally and scientists all over the world are struggling to find suitable solutions to combat it. Multiple repurposed drugs have already been in several clinical trials or recently completed. However, none of them shows any promising effect in combating COVID-19. Therefore, developing an effective drug is an unmet global need. RdRp (RNA dependent RNA polymerase) plays a pivotal role in viral replication. Therefore, it is considered as a prime target of drugs that may treat COVID-19. In this study, we have screened a library of compounds, containing approved RdRp inhibitor drugs that were or in use to treat other viruses (favipiravir, sofosbuvir, ribavirin, lopinavir, tenofovir, ritonavir, galidesivir and remdesivir) and their structural analogues, in order to identify potential inhibitors of SARS-CoV-2 RdRp. Extensive screening, molecular docking and molecular dynamics show that five structural analogues have notable inhibitory effects against RdRp of SARS-CoV-2. Importantly, comparative protein-antagonists interaction revealed that these compounds fit well in the pocket of RdRp. ADMET analysis of these compounds suggests their potency as drug candidates. Our identified compounds may serve as potential therapeutics for COVID-19.

Indexed as

Binding free energyCOVID-19Molecular dockingMolecular dynamics simulationRNA dependent RNA polymeraseVirtual screening

Identifiers

PMID33693066
PMCPMC7934700
OpenAlexW3105144449

What OpenQuestion 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 OpenQuestion graph.