Ivermectin Docks to the SARS-CoV-2 Spike Receptor-binding Domain Attached to ACE2.
In Vivo
; 34(5): 3023-3026, 2020.
Artículo
en Inglés
| 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.Palabras clave
Texto completo:
Disponible
Colección:
Bases de datos internacionales
Base de datos:
MEDLINE
Asunto principal:
Neumonía Viral
/
Ivermectina
/
Infecciones por Coronavirus
/
Peptidil-Dipeptidasa A
/
Betacoronavirus
Tipo de estudio:
Estudio pronóstico
Límite:
Humanos
Idioma:
Inglés
Revista:
In Vivo
Asunto de la revista:
Neoplasmas
Año:
2020
Tipo del documento:
Artículo
País de afiliación:
Invivo.12134
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