Ibuprofen is a widely used pain killers but it isn’t administered intravenously. To make it so, scientists have modified ibuprofen slightly to alter its properties.
In diabetics, insulin production is reduced as a protease inactivates GLP1 responsible for insulin production. Administration of GLP1 could help, but it needs to be altered to sneak past the protease.
Computation has a way of finding its use in every field, and drug discovery isn’t exempt from it, especially when we are time-bound.