Synthesis, spectral characterization, crystal structure and computational investigation of 2-formyl-6-methoxy-3-carbethoxy quinoline as potential SARS-CoV inhibitor.

A Franklin Ebenazer, M Saravanabhavan, K S Ramesh, Shabbir Muhammad, Abdullah G Al-Sehemi, N Sampathkumar

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Article in The Journal of physics and chemistry of solids, 2022. 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

0.7field-weighted citation impact, top 37% of its field

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1 citing paper in PubMed, 7 citations in OpenAlex.

Ultrasound-mediated Tandem Synthesis of New Highly Functionalized 4-Hydroxy-quinoline Derivatives with Amidine and Imidate Skeletons from Trichloroacet-amidine(imidate), Alkynes, and Isatoic Anhydride.Current organic synthesis · 2026
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6 authors at 3 institutions in 2 countries.

A Franklin EbenazerPost-Graduate and Research Department of Chemistry, Chikkanna Government Arts College, Tiruppur, 641 602, Tamil Nadu, India.

M SaravanabhavanDepartment of Chemistry, KPR Institute of Engineering and Technology, Coimbatore, 641 407, Tamil Nadu, India.

K S RameshDepartment of Chemistry, Adithya Institute of Technology, Coimbatore, 641 107, Tamil Nadu, India.

Shabbir MuhammadDepartment of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.

Abdullah G Al-SehemiDepartment of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.

N SampathkumarPost-Graduate and Research Department of Chemistry, Chikkanna Government Arts College, Tiruppur, 641 602, Tamil Nadu, India.

King Khalid University · SAAdithya Institute of TechnologyKPR Institute of Engineering and Technology · IN

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The recent COVID-19 outbreak caused by the novel coronavirus SARS-CoV-2 has an immense impact on global health and economy. Although vaccines are being used, urgent need of drugs based on natural products with high efficacy and safety is a pressing priority. Quinoline alkaloids are well known for their therapeutic action against malaria; initially, it was tried against Coronaviruses. It is a basic vital scaffold to design drugs with required biological and pharmacological activities. In this present study, a new quinoline compound was synthesized and characterized by spectroscopy techniques. Crystal structure was established by SCXRD analysis and data is used as an input to perform various computations. Additionally, using state-of-the-art quantum computational techniques, the geometry optimization and calculation of UV-Vis spectrum of 2F6M3CQ were performed at B3LYP/6-311G* level of theory. The optimized molecular geometric parameters as well as UV-Vis spectrum values are found to be in good agreement with their respective experimental results. The visualization of 3-D plots of FMO and MEP indicated the structure and reactivity trends of 2F6M3CQ molecule. Molecular docking methods were utilized to find the drug ability of 2F6M3CQ with M

Indexed as

Molecular dockingOrganic synthesisQuantum chemical analysisQuinolineSARS CoV-2

Identifiers

PMID35847561

DOI10.1016/j.jpcs.2022.110886

PMCPMC9273294

OpenAlexW4285045780

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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.