Recent Advances in Quantum Computing for Drug Discovery and Development

Abstract

Preserving human health is of utmost importance, and unrestricted availability of medications is essential for overall wellness. Pharmaceuticals, which consist of a wide range of therapeutic substances utilized to diagnose, treat, and improve various diseases and conditions, play a crucial part in healthcare. However, the drug research and development process is widely recognized for its lengthy duration, demanding nature, and substantial expenses. To enhance the effectiveness of this complex process, interdisciplinary groups have converged, giving rise to the field known as “Bioinformatics”. The emergence and future advancements of Quantum Computing (QC) technologies have the potential to significantly enhance and accelerate the complex process of drug discovery and development. This paper explores various disciplines, such as Computer-Aided Drug Design (CADD), quantum simulations, quantum chemistry, and clinical trials, that stand to gain significant advantages from the rapidly advancing field of quantum technology. This study explores a range of fundamental quantum principles, intending to facilitate a thorough understanding of this revolutionary technology.

Keywords

• Ab initio methods
• ansatz
• computer-aided drug designing
• molecular docking
• quantum computing
• quantum simulations