Abstract

Nanotechnology is a promising platform for targeted drug delivery in an effective manner. Drug development and research with quantum computing (QC) emerges as a game changer for pharmaceutical industries. The main objective of the present chapter is to review various QC techniques that are used to effectively simulate the problems at molecular and atomic level to find out exceptional results. QC devices use mathematical models and quantum gates for computational implementation. The mode of action of nanomaterials and their interactions with the active ingredient, biological membranes, and other biological tissues or molecules have been improved with complementary experimental and computational studies. Several strategies, like 3-dimensional protein structures and active ingredient interactions with various systemic proteins, can have an effect on the development process. An absolute QC model is needed for the representation of actual physiological conditions for nanocarriers loaded with active ingredients and their biodistribution under a given vascular geometry and hemodynamic conditions. These virtual tools help to design potent nanocarriers with minimal side effects.