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Evaluation of Lens culinaris phytochemicals in binding to the 3C-like protease of SARS-CoV-2 – A molecular docking approach
- Source :
- Indian Journal of Medical Sciences
- Publication Year :
- 2020
- Publisher :
- Scientific Scholar, 2020.
-
Abstract
- The novel coronavirus known as SARS-CoV-2 and the virus-induced disease COVID-19 has caused widespread concerns due to its contagiousness, fatality rate, and the absence of drug(s). This study investigated Lens culinaris and its phytochemicals, especially the flavonoids. The compounds were assessed through molecular docking studies for their binding abilities with the major protease of the novel coronavirus, SARS-CoV-2 (PDB: 6LU7). A total of 42 phytochemicals of Lens culinaris were analyzed through molecular docking studies for their binding affinities to COVID 3C-like protease. Of them, 23 compounds were found to have binding affinities to the protease of −7.5 kcal/mol or higher. Our study indicates that Lens culinaris contains a number of polyphenolic compounds as well as phytosterols, which can bind to the active site of the protease, and so merits further scientific attention on trials for use as potential anti-COVID-19 drugs.
- Subjects :
- Coronavirus disease 2019 (COVID-19)
Lens culinaris
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
medicine.medical_treatment
Phytochemicals
Protein Data Bank (RCSB PDB)
medicine.disease_cause
03 medical and health sciences
Viewpoint
0302 clinical medicine
Medicine
030212 general & internal medicine
Coronavirus
Bangladesh
Protease
biology
SARS-CoV-2
business.industry
COVID-19
Active site
General Medicine
medicine.anatomical_structure
Biochemistry
Polyphenol
Lens (anatomy)
biology.protein
business
Subjects
Details
- ISSN :
- 19983654 and 00195359
- Volume :
- 72
- Database :
- OpenAIRE
- Journal :
- Indian Journal of Medical Sciences
- Accession number :
- edsair.doi.dedup.....5e8bea6d5a5dbe4dad98523b1f090339