Ivermectin Docks to the SARS-CoV-2 Spike Receptor-binding Domain Attached to ACE2.
In Vivo
; 34(5): 3023-3026, 2020.
Article
in English
| MEDLINE | ID: covidwho-740631
ABSTRACT
BACKGROUND/AIM:
Coronavirus disease 2019 (COVID-19) is an infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). One drug that has attracted interest is the antiparasitic compound ivermectin, a macrocyclic lactone derived from the bacterium Streptomyces avermitilis. We carried out a docking study to determine if ivermectin might be able to attach to the SARS-CoV-2 spike receptor-binding domain bound with ACE2. MATERIALS ANDMETHODS:
We used the program AutoDock Vina Extended to perform the docking study.RESULTS:
Ivermectin docked in the region of leucine 91 of the spike and histidine 378 of the ACE2 receptor. The binding energy of ivermectin to the spike-ACE2 complex was -18 kcal/mol and binding constant was 5.8 e-08.CONCLUSION:
The ivermectin docking we identified may interfere with the attachment of the spike to the human cell membrane. Clinical trials now underway should determine whether ivermectin is an effective treatment for SARS-Cov2 infection.Keywords
Full text:
Available
Collection:
International databases
Database:
MEDLINE
Main subject:
Pneumonia, Viral
/
Ivermectin
/
Coronavirus Infections
/
Peptidyl-Dipeptidase A
/
Betacoronavirus
Type of study:
Prognostic study
Limits:
Humans
Language:
English
Journal:
In Vivo
Journal subject:
Neoplasms
Year:
2020
Document Type:
Article
Affiliation country:
Invivo.12134
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