Computational approaches efficiently design the drugs to prevent diseases
for which no drug is available. These techniques are also used for the development of
new drugs. It involves using a variety of computer software for drug modeling and
simulation, hence usually known as computer-aided drug designing (CADD). The
computational tools provide crucial drug designing in a short period. These techniques
are time and cost-effective as compared to conventional drug development methods.
Computational methods can effectively model the suitable drug candidate by
optimizing ligand-target interactions and observing the deep insight of cellular
processes by its powerful tools. Several studies have applied these modern
computational techniques to find out the possible therapy against the pandemic disease
of COVID-19. The critical proteins of COVID-19, including 3C-like protease, papainlike
protease, and RNA polymerase, are targeted to model the effective drug. CADD
approaches suggest anti-viral drugs, anti-coagulant, anti-HIV drugs, and anti-fungal
drugs to have little effect against COVID-19. This chapter aims to overview the
different CADD approaches to design the possible drug for the treatment of COVID-
19.
Keywords: CADD, Computational methods, COVID-19, Treatment.
