Abstract:
he cost to develop a new drug that would enter
the market is found to be $2.6 billion, and only a
percentage of less than 12% of new drug candidates that
would enter clinical trials would obtain FDA approval
as a prescriptible medication. 1 The rational molecular
design could potentially change this drastically and save
a lot of money and time by eliminating candidates that
fail in the process of only selecting candidates with a
chance of being ultimately successful. Virtual screening
is one such method where computational chemistry
simulations are used to screen molecules instead of
using conventional biochemical assays.
