Evidence map›Paper›PMID 34909059›Full record

ArticleArabian journal of chemistry2021

Exploring the interaction of quercetin-3-O-sophoroside with SARS-CoV-2 main proteins by theoretical studies: A probable prelude to control some variants of coronavirus including Delta.

Suliman Khan, Arif Hussain, Yasaman Vahdani, Hamideh Kooshki, Bashdar Mahmud Hussen, Setareh Haghighat, Mohammed Fatih Rasul, Hazha Jamal Hidayat, Anwarul Hasan, Zehra Edis and 9 more

Open access · goldAbstract read
In one paragraph

Article in Arabian journal of chemistry, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
1.2field-weighted citation impact, top 18% 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

3 citing papers in PubMed, 10 citations in OpenAlex.

  1. Review
  2. Review
  3. 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

19 authors at 13 institutions in 6 countries.

Suliman KhanDepartment of Respiratory and Critical Care Medicine, The Second Affiliated Hospital of Zhengzhou University, Zhengzhou, China.
Arif HussainSchool of Life Sciences, Manipal Academy of Higher Education, Dubai, United Arab Emirates.
Yasaman VahdaniDepartment of Microbiology, Faculty of Pharmaceutical Science, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.
Hamideh KooshkiDepartment of Medical Nanotechnology, Faculty of Advanced Science and Technology, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.
Bashdar Mahmud HussenDepartment of Pharmacognosy, College of Pharmacy, Hawler Medical University, Kurdistan Region, Erbil, Iraq.
Setareh HaghighatDepartment of Microbiology, Faculty of Advanced Science and Technology, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.
Mohammed Fatih RasulDepartment of Medical Analysis, Faculty of Science, Tishk International University-Erbil, Kurdistan Region, Iraq.
Hazha Jamal HidayatDepartment of Biology, College of Education, Salahaddin University-Erbil, Erbil, Iraq.
Anwarul HasanDepartment of Mechanical and Industrial Engineering, College of Engineering, Qatar University, Doha 2713, Qatar.
Zehra EdisDepartment of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, Ajman University, Ajman, United Arab Emirates.
Samir Haj BloukhCenter of Medical and Bio-allied Health Sciences Research, Ajman University, PO Box 346, Ajman, United Arab Emirates.
Shahab KasraviDepartment of Biology, Science and Research Branch, Islamic Azad University, Tehran, Iran.
Mohammad Mahdi Nejadi BabadaeiDepartment of Molecular Genetics, Faculty of Biological Science, North Tehran Branch, Islamic Azad University, Tehran, Iran.
Majid SharifiDepartment of Medical Nanotechnology, Faculty of Advanced Science and Technology, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.
Qian BaiDepartment of Anesthesiology, The Second Affiliated Hospital of Zhengzhou University, Zhengzhou, China.
Jianbo LiuDepartment of Respiratory and Critical Care Medicine, The Second Affiliated Hospital of Zhengzhou University, Zhengzhou, China.
Bowen HuDepartment of Hepatobiliary and Pancreatic Surgery, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China.
Keivan AkhtariDepartment of Physics, University of Kurdistan, Sanandaj, Iran.
Mojtaba FalahatiDepartment of Medical Nanotechnology, Faculty of Advanced Science and Technology, Tehran Medical Sciences, Islamic Azad University, Tehran, Iran.
Islamic Azad University Medical Branch of Tehran · IRAjman University · AESecond Affiliated Hospital of Zhengzhou University · CNFirst Affiliated Hospital of Zhengzhou University · CNHawler Medical University · IQIslamic Azad University North Tehran Branch · IRIslamic Azad University, Science and Research Branch · IRIslamic Azad University, Tehran · IRQatar University · QASalahaddin University-Erbil · IQTishk International University · IQUniversity of Haripur · PKUniversity of Kurdistan · IR

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The aim of this study was to investigate the mechanism of interaction between quercetin-3-O-sophoroside and different SARS-CoV-2's proteins which can bring some useful details about the control of different variants of coronavirus including the recent case, Delta. The chemical structure of the quercetin-3-O-sophoroside was first optimized. Docking studies were performed by CoV disease-2019 (COVID-19) Docking Server. Afterwards, the molecular dynamic study was done using High Throughput Molecular Dynamics (HTMD) tool. The results showed a remarkable stability of the quercetin-3-O-sophoroside based on the calculated parameters. Docking outcomes revealed that the highest affinity of quercetin-3-O-sophoroside was related to the RdRp with RNA. Molecular dynamic studies showed that the target E protein tends to be destabilized in the presence of quercetin-3-O-sophoroside. Based on these results, quercetin-3-O-sophoroside can show promising inhibitory effects on the binding site of the different receptors and may be considered as effective inhibitor of the entry and proliferation of the SARS-CoV-2 and its different variants. Finally, it should be noted, although this paper does not directly deal with the exploring the interaction of main proteins of SARS-CoV-2 Delta variant with quercetin-3-O-sophoroside, at the time of writing, no direct theoretical investigation was reported on the interaction of ligands with the main proteins of Delta variant. Therefore, the present data may provide useful information for designing some theoretical studies in the future for studying the control of SARS-CoV-2 variants due to possible structural similarity between proteins of different variants.

Indexed as

COVID-19Molecular dockingMolecular dynamicQuercetin-3-O-sophorosideSARS-CoV-2Variants

Identifiers

PMID34909059
PMCPMC8317451
OpenAlexW3185291193

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.