1.Introduction
In biology and other experimental sciences, an Insilico experiment is
one performed on computer or via computer simulation. The phrase
is pseudo-Latin for ’in silicon’ (in Latin it would be in silicio),
referring to silicon in computer chips. Actually In silico study helps
us to estimate effectiveness of hypothesizes before doing any animal and
clinical trials, so it can reduce the risk of animals and people
death.2 By estimating the bond energies, scientists
can assure the possibility of protein – ligand interactions and drug
activity. As an example, this technique could be utilized to study
antiviral effects of candidate drugs to cure coronavirus disease
(COVID-19) caused by SARS-COV-2. COVID - 19 is an infectious disease
caused by a novel SARS-CoV-2 pandemic which initially started in Wuhan
province in China and has now affected > 200 countries
worldwide and declared a pandemic. 1,3,4 As per the
statistics available, mortality is high in older age group individuals
(> 60 years of age) and people with other morbid
conditions. In addition to acute respiratory distress syndrome and
respiratory failure, COVID-19 is now known to manifest as systemic
inflammation, leading to sepsis, acute cardiac injury, and heart failure
and multi-organ dysfunction in patients at high risk.3Metal oxide nanoparticles with their novel properties have had
increasing interest for these kinds of biomedical applications. In
recent years, monodispersed super paramagnetic iron oxide nanoparticles
were developed for various biological applications such as antiviral
activity , drug delivery, protein purification, MRI and hyperthermia
treatment.5,6 Magnetic nanoparticles with a size range
of less than 1000 nm have been used to treat proteins (5–50 nm), genes
(10– 100 nm), viruses (20–450 nm) and cells (10–100 mm) without any
difficulty. The advantages associated with super paramagnetic nano
particles are easy preparation, active surface functionality, chemical
stability, fast response under an external magnetic field, low toxicity
and cost effectiveness. However, it is difficult to use pure
Fe3O4 nanoparticles for these
applications due to their high surface to volume ratio, strong
dipole–dipole interaction between the particles and agglomeration.7All these problems were solved by encapsulating the
iron oxide nanoparticles in surface active agents. The encapsulation
provides improved chemical, mechanical, solubility and biological
stability to the environment, so based on this information, modified
magnetic nanoparticles were used as a treatment for COVID – 19 in this
work. In the first step the interactions (ligand – receptor = drug –
target protein) were confirmed by aid of Insilco assay.8 The Insilico assay results are described in this
paper in details. Not any available ligand structure in databanks was
used to design the drug and all information about suggested drug are
noble.