Introduction
Coronaviruses (CoV) have single-stranded RNA that infect animals and
Humans. Our current understanding is definedas the virus genome
sequences and moderate epidemiological and clinical data [1].
In December 2019, the epidemic of coronavirus was reported from Wuhan,
China that also transferred from animals to humans [2].
The spike glycoprotein (S) of coronavirus is cut into two subunits (S1
and S2). The S1 subunit is beneficial in receptor binding and the S2
subunit helps membrane fusion [3]. Therefore it is desired to
investigate the spike glycoprotein of the 2019-nCoV to understand its
function, novel features interactions, and structural features using
computational tools [1].
In the analysis, the SARS-CoV-2 spike protein directly binds to the host
cell surface ACE2 receptor helping virus entry and replication [13].
The 2019- nCoV spike glycoprotein contains 4 insertions. The amino acid
positions introduced in 2019-nCoV were the corresponding residues in
HIV-1 gp120 and HIV-1 Gag. The first 3 inserts (insert 1, 2 and 3) were
aligned to short segments of amino acid residues in HIV-1 gp120, the
insert 4 aligned to HIV-1 Gag. The insert 1 (6 amino acid residues) and
insert 2 (6 amino acid residues) in the spike glycoprotein of 2019-nCoV
are 100% as same as to the residues mapped to HIV-1 gp120. The insert 3
(12 amino acid residues) in 2019-nCoV was corresponded maps to HIV-1
gp120 for gaps, and the insert 4 (8 amino acid residues) maps to HIV-1
Gag for gaps [1].
There are several capability therapeutic approaches, that one of them is
the spike protein-based vaccine. Developments of a spike1 subunit
protein-based drug that can interact with it maybe have good effect.
Because may rely on the fact that ACE2 is the SARS-CoV- 2 receptors
[13-14].
Yet, no SARS‐CoV‐2 therapeutics were available, even if some treatment
options which await acceptance have been published, including several
broad-spectrum antivirals such as favipiravir and remdesivir and the
anti‐malaria drug chloroquine [10]. It seems that Rheumatoid
arthritis (RA), a chronic inflammatory disease that may result in
important disability, was connected with COVID‐19 [19].
A new hypothesis suggested that angiotensin receptor 1 (AT1R) inhibitors
might be beneficial for patients infected by COVID‐19 [10]. Then it
was guessed that anti-human-interleukin 6 receptors may be a proposal
drug with COVIN19. Because the renin-angiotensin system (RAS) is a
central mediator in the development of hypertension and associated
cardiovascular diseases [9], it was a suggestion to apply AT1R
antagonists such as losartan and telmisartan as SARS‐CoV‐2 therapeutics
for treating patients before the development of acute respiratory
syndrome remains unproven until tried. At the time of writing this brief
commentary, the end of the COVID‐19 epidemic is not in sight and
forceful actions are required (and being done) for containing its spread
and death rate [10].
The drugs were suggested that their effects were approved already on
treatment Rheumatoid arthritis (anakinra [20, 22], chloroquine
[10]), HIV-1 protease (comostate, lamivudine, pepstatin
[13,15]), angiotensin-converting enzyme 2(losartan [6]),
antiviral(favipiravir[21]) and cancer (ribavirin [23]) as well
as analyzed as therapeutic targets. These targets were objects of
interest in different areas of biomedical and pharmaceutical research
and the progress and evaluation of bioinformatics, molecular modeling,
computer-aided drug design, and analytical tools. Molecular Modeling for
the prediction of Selective drugs and their collaborators were focused
on the selection of them since the last decade, with the help of
molecular modeling methods in some instances.
Development of advanced computational methods for bioinformatics,
molecular modelingand drug design, introduces known therapeutic targets
to refine and use algoritms.