Evidence map›Paper›PMID 39553680›Full record

ArticleHeliyon2024

In-silico and in-vitro studies to identify potential inhibitors of SARS-CoV-2 spike protein from Omani medicinal plants.

Nabras Al-Mahrami, Smitha Sunil Kumaran Nair, Adhra Al Mawali, Raja-Mohamed Beema Shafreen, Saeed Ullah, Sobia Ahsan Halim, Ahmed Al-Harrasi, Nallusamy Sivakumar

Abstract read
In one paragraph

Article in Heliyon, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

8 authors.

Nabras Al-MahramiNational Genetic Center, Royal Hospital, Ministry of Health, Sultanate of Oman.
Smitha Sunil Kumaran NairDepartment of Computing and Electronics Engineering, Middle East College, Sultanate of Oman.
Adhra Al MawaliQuality Assurance and Planning, German University of Technology (GUtech), Sultanate of Oman.
Raja-Mohamed Beema ShafreenDepartment of Biotechnology, Dr Umayal Ramanathan College for Women, Karaikudi, India.
Saeed UllahNatural and Medical Sciences Research Center, University of Nizwa, Sultanate of Oman.
Sobia Ahsan HalimNatural and Medical Sciences Research Center, University of Nizwa, Sultanate of Oman.
Ahmed Al-HarrasiNatural and Medical Sciences Research Center, University of Nizwa, Sultanate of Oman.
Nallusamy SivakumarDepartment of Biology, Sultan Qaboos University, Sultanate of Oman.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In the quest for novel therapeutic agents against SARS-CoV-2, the proposed study explores the potential of traditional Omani medicinal plants, focusing on the efficacy of natural ligands against the virus's Spike protein. Among 437 identified medicinal plants across Oman, 47 species that are documented for their traditional use in treating respiratory infections, with 30 species' ligands available were chosen for analysis. Molecular docking was performed using Autodock Vina on these ligands, yielding 406 unique ligands post-duplication removal. The binding affinities of target-ligand complexes were precisely determined, ranking them by interaction strength. This process identified Corilagin, a phytochemical from the Acalypha indica plant (locally known as Aeyan Al Aqrada), as the most promising inhibitor. Subsequent analyses using GROMACS for molecular dynamics simulation confirmed its binding stability and interaction dynamics of the Corilagin-protein complex. The in-vitro studies further validated Corilagin's inhibitory effect on SARS-CoV-2, demonstrating a remarkable 92 % inhibition at 0.5 mM concentration. Dilution studies to ascertain the IC

Indexed as

Aeyan Al AqradaCorilaginCoronavirusCOVID-19Drug discoveryEthnomedicineIn-silicoIn-vitroMolecular dockingMolecular dynamics simulationSARS-CoV-2 spike proteinSultanate of Oman

Identifiers

PMID39553680
PMCPMC11564015

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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.