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2020 ; 285
(ä): 198022
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COVID-19: CADD to the rescue
#MMPMID32417181
Onawole AT
; Sulaiman KO
; Kolapo TU
; Akinde FO
; Adegoke RO
Virus Res
2020[Aug]; 285
(ä): 198022
PMID32417181
show ga
The recent outbreak of the deadly COVID-19 disease, being caused by the novel
coronavirus (SARS-CoV-2), has put the world on red alert as it keeps spreading
and recording more fatalities. Research efforts are being carried out to curtail
the disease from spreading as it has been declared as of global health emergency.
Hence, there is an exigent need to identify and design drugs that are capable of
curing the infection and hinder its continual spread across the globe. Herein, a
computer-aided drug design tool known as the virtual screening method was used to
screen a database of 44 million compounds to find compounds that have the
potential to inhibit the surface glycoprotein responsible for virus entry and
binding. The consensus scoring approach selected three compounds with promising
physicochemical properties and favorable molecular interactions with the target
protein. These selected compounds can undergo lead optimization to be further
developed as drugs that can be used in treating the COVID-19 disease.
free
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