The emergence of the new coronavirus (nCoV-19) has impacted human
health on a global scale, while the interaction between the
virus and the host is the foundation of the disease. The viral
genome codes a cluster of proteins, each with a unique function
in the event of host invasion or viral development. Under the
current adverse situation, we employ virtual screening tools in
searching for drugs and natural products which have been already
deposited in DrugBank in an attempt to accelerate the drug
discovery process. This study provides an initial evaluation of
current drug candidates from various reports using our systemic
in silico drug screening based on structures of viral proteins
and human ACE2 receptor. Additionally, we have built an
interactive online platform (
) for browsing these
results with the visual display of a small molecule docked on
its potential target protein, without installing any specialized
structural software. With continuous maintenance and
incorporation of data from laboratory work, it may serve not
only as the assessment tool for the new drug discovery but also
an educational web site for the public.
<p>The emergence of the new
coronavirus (nCoV-19) has brought global impact on human health, whilst the
interaction between the virus and the host is the foundation of the disease.
The viral genome codes a cluster of proteins, each with a unique function in the
event of host invasion or viral development. Under current adverse situation, we
employ virtual screening tools in searching for drugs and nature products which
have been already deposited in the DrugBank in attempt to accelerate the drug
discovery process. This study provides an initial evaluation of current drug
candidates from various reports using our systemic in silico drug screening
based on structures of viral proteins and human ACE2 receptor. Besides, we
built an interactive online platform (<a href="https://shennongproject.com:11443/#/home">https://shennongproject.com:11443/#/home</a>)
for browsing these results with the visual display of small molecule docked on
its potential target protein, without installing any specialized structural software.
With continuous maintenance and incorporation of data from laboratory works, it
may serve not only as the assessment tool for the new drug discovery but also
an educational website to meet general interest from the public.</p>
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