Evidence map›Paper›PMID 39474614›Full record

ArticleFrontiers in pharmacology2024

Computational identification of

Md Shohel Hossain, Soharth Hasnat, Shilpy Akter, Maria Mulla Mim, Anika Tahcin, Majedul Hoque, Durjoy Sutradhar, Mst Alifa Akter Keya, Namin Rouf Sium, Sophia Hossain and 6 more

Abstract read
In one paragraph

Article in Frontiers in pharmacology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
–field-weighted citation impact
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

6 citing papers in PubMed.

  1. Article
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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

16 authors.

Md Shohel Hossain *Department of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Soharth Hasnat *Molecular Biology and Bioinformatics Laboratory, Department of Gynecology, Obstetrics and Reproductive Health, Bangabandhu Sheikh Mujibur Rahman Agricultural University, Gazipur, Bangladesh.
Shilpy AkterDepartment of Pharmacy, Comilla University, Comilla, Bangladesh.
Maria Mulla MimDepartment of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Anika TahcinDepartment of Biochemistry and Molecular Biology, Noakhali Science and Technology University, Noakhali, Bangladesh.
Majedul HoqueDepartment of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Durjoy SutradharDepartment of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Mst Alifa Akter KeyaDepartment of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Namin Rouf SiumDepartment of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Sophia HossainDepartment of Pharmacy, ASA University Bangladesh, Dhaka, Bangladesh.
Runa MasumaDepartment of Pharmacy, Jahangirnagar University, Dhaka, Bangladesh.
Sakhawat Hossen RakibElectrical and Electronic Engineering, University of Asia Pacific, Dhaka, Bangladesh.
Md Aminul IslamAdvanced Molecular Lab, Department of Microbiology, President Abdul Hamid Medical College, Karimganj, Bangladesh.
Tofazzal IslamInstitute of Biotechnology and Genetic Engineering, Bangabandhu Sheikh Mujibur Rahman Agricultural University, Gazipur, Bangladesh.
Prosun BhattacharyaCOVID-19 Research, Department of Sustainable Development, Environmental Science and Engineering, KTH Royal Institute, Stockholm, Sweden.
M Nazmul HoqueMolecular Biology and Bioinformatics Laboratory, Department of Gynecology, Obstetrics and Reproductive Health, Bangabandhu Sheikh Mujibur Rahman Agricultural University, Gazipur, Bangladesh.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Background: Dengue virus (DENV) infection, spread by Objective: This study aimed to identify inhibitory phytocompounds Methods: The chemical structures of 17 compounds from Results: Among these compounds, Beta-amyrin, Beta-amyrin acetate, Chrysoeriol, Isoorientin, and Luteolin showed promising potential as inhibitors of the NSP1 of DENV-2, supported by the results of thermodynamic properties, molecular orbitals, electrostatic potentials, spectral data and molecular screening. Besides, these compounds adhered to the Lipinski's "rule of 5", showing no hepatotoxicity/cytotoxicity, with mixed mutagenicity, immunotoxicity, and carcinogenicity. Furthermore, final validation through MDS confirmed their potential, demonstrating stable tendencies with significant inhibitory activities against NSP1 of DENV-2 over the control drug Baicalein. Among the screened compounds, Chrysoeriol emerged as the most promising inhibitor of NSP1 of DENV-2, followed by Luteolin and Isoorientin. Conclusion: Taken together, our results suggest that Chrysoeriol is the best inhibitor of NSP1 of DENV-2, which could be evaluated as a therapeutic agent or a lead compound to treat and manage DENV-2 infections.

Indexed as

DENV-2molecular dynamics simulationmolecular screeningNSP1V. cinerea

Identifiers

PMID39474614
PMCPMC11518830

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.