New chalcone derivatives as effective against SARS-CoV-2 agent.
Int J Clin Pract
; 75(12): e14846, 2021 Dec.
Article
in English
| MEDLINE | ID: covidwho-1555354
ABSTRACT
AIMS:
Flavonoids and related compounds, such as quercetin-based antiviral drug Gene-Eden-VIR/Novirin, inhibit the protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The alkylated chalcones isolated from Angelica keiskei inhibit SARS-CoV proteases. In this study, we aimed to compare the anti-SARS CoV-2 activities of both newly synthesized chalcone derivatives and these two drugs.METHODS:
Determination of the potent antiviral activity of newly synthesized chalcone derivatives against SARS-CoV-2 by calculating the RT-PCR cycling threshold (Ct ) values.RESULTS:
Antiviral activities of the compounds varied because of being dose dependent. Compound 6, 7, 9, and 16 were highly effective against SARS-CoV-2 at the concentration of 1.60 µg/mL. Structure-based virtual screening was carried out against the most important druggable SARS-CoV-2 targets, viral RNA-dependent RNA polymerase, to identify putative inhibitors that could facilitate the development of potential anti-coronavirus disease-2019 drug candidates.CONCLUSIONS:
Computational analyses identified eight compounds inhibiting each target, with binding affinity scores ranging from -4.370 to -2.748 kcal/mol along with their toxicological, ADME, and drug-like properties.
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Chalcone
/
Chalcones
/
COVID-19
Type of study:
Experimental Studies
/
Prognostic study
Limits:
Humans
Language:
English
Journal:
Int J Clin Pract
Journal subject:
Medicine
Year:
2021
Document Type:
Article
Affiliation country:
Ijcp.14846
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