Strong Inhibitory Activity and Action Modes of Synthetic Maslinic Acid Derivative on Highly Pathogenic Coronaviruses: COVID-19 Drug Candidate

In late December 2019, a novel coronavirus, namely severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), escaped the animal-human interface and emerged as an ongoing global pandemic with severe flu-like illness, commonly known as coronavirus disease 2019 (COVID-19). In this study, a molecula...

Full description

Saved in:
Bibliographic Details
Published in:Pathogens (Basel) 2021-05, Vol.10 (5), p.623
Main Authors: Soltane, Raya, Chrouda, Amani, Mostafa, Ahmed, Al-Karmalawy, Ahmed A, Chouaïb, Karim, Dhahri, Abdelwaheb, Pashameah, Rami Adel, Alasiri, Ahlam, Kutkat, Omnia, Shehata, Mahmoud, Jannet, Hichem Ben, Gharbi, Jawhar, Ali, Mohamed A
Format: Article
Language:English
Subjects:
Acids
Animal human relations
Antiviral activity
Biocompatibility
Cancer
Chemists
Coronaviruses
COVID-19
COVID-19 vaccines
Cytotoxicity
Disease transmission
Drugs
Green chemistry
Hepatitis
In vivo methods and tests
maslinic acid
MERS-CoV
Molecular docking
oleanolic acid
Pandemics
SAR
SARS-CoV-2
Severe acute respiratory syndrome coronavirus 2
Viral diseases
Viruses
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In late December 2019, a novel coronavirus, namely severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), escaped the animal-human interface and emerged as an ongoing global pandemic with severe flu-like illness, commonly known as coronavirus disease 2019 (COVID-19). In this study, a molecular docking study was carried out for seventeen ( ) structural analogues prepared from natural maslinic and oleanolic acids, screened against SARS-CoV-2 main protease. Furthermore, we experimentally validated the virtual data by measuring the half-maximal cytotoxic and inhibitory concentrations of each compound. Interestingly, the chlorinated isoxazole linked maslinic acid (compound ) showed promising antiviral activity at micromolar non-toxic concentrations. Thoughtfully, we showed that compound mainly impairs the viral replication of SARS-CoV-2. Furthermore, a very promising SAR study for the examined compounds was concluded, which could be used by medicinal chemists in the near future for the design and synthesis of potential anti-SARS-CoV-2 candidates. Our results could be very promising for performing further additional in vitro and in vivo studies on the tested compound ( ) before further licensing for COVID-19 treatment.
ISSN:2076-0817
2076-0817
DOI:10.3390/pathogens10050623