ABSTRACT

The development of drugs has become more complicated over the past 40 years, necessitating the preclinical stage of drug research, an investigational new drug (IND) application, and lengthy clinical testing before receiving FDA marketing permission. Applications for new drugs (NDAs) or licenses for biologics (BLAs) are frequently carefully reviewed before approval. Drug performance is again presented to regulatory agencies for post-marketing research after authorisation. Quantum computing has emerged as a disruptive technology with the potential to revolutionize various fields, including drug discovery. The traditional process of discovering new drugs is a time-consuming and expensive endeavor, often requiring extensive computational resources to simulate and analyze molecular interactions. Quantum computing, with its ability to leverage quantum mechanics principles, offers new opportunities for accelerating drug discovery processes, enhancing molecular modeling, and improving the understanding of complex biological systems. This comprehensive review explores the application of quantum computing techniques and algorithms in the context of new drug discovery, highlighting key advancements, challenges, and future prospects. Keywords: Quantum computing, Drug discovery, Computational chemistry, Quantum algorithms, Quantum machine learning, Quantum chemistry, Quantum molecular dynamics, Quantum optimization, Quantum-inspired algorithms, Quantum-enhanced drug discovery
Publication date: 01/01/2025

https://ijbpas.com/pdf/2025/January/MS_IJBPAS_2025_8521.pdf

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https://doi.org/10.31032/IJBPAS/2025/14.1.8521