DOI: https://doi.org/10.63345/ijrmp.v12.i10.1
Shweta Kumari
Independent Researcher
Greater Noida, India
Abstract
The emergence of antibiotic-resistant bacteria represents a critical threat to global public health, necessitating innovative approaches to drug discovery. Artificial Intelligence (AI) has emerged as a transformative tool in identifying novel compounds and predicting their biological activity against resistant pathogens. This manuscript provides an overview of AI-based methodologies for drug discovery targeting antibiotic-resistant bacteria, reviewing literature up to 2021. We discuss key algorithms, data-driven strategies, and integrated pipelines that combine cheminformatics, molecular docking, and machine learning. A statistical analysis is presented to compare the efficacy of different AI models, followed by a detailed description of our methodology, results, and insights from recent case studies. Finally, the manuscript concludes with a discussion on the potential impact of AI in accelerating the drug discovery process, while outlining future directions for research that could further refine these approaches.
Keywords
AI-based drug discovery; antibiotic-resistant bacteria; machine learning; cheminformatics; molecular docking; statistical analysis
References
- https://www.google.com/url?sa=i&url=https%3A%2F%2Fappinventiv.com%2Fblog%2Fai-in-drug-discovery%2F&psig=AOvVaw12em3EywRJe6ShxbUN4j9Q&ust=1741702899535000&source=images&cd=vfe&opi=89978449&ved=0CBQQjRxqFwoTCMibn43g_4sDFQAAAAAdAAAAABAE
- https://www.google.com/url?sa=i&url=https%3A%2F%2Fwww.frontiersin.org%2Fjournals%2Fmicrobiology%2Farticles%2F10.3389%2Ffmicb.2024.1347000%2Ffull&psig=AOvVaw1g2iZREuUPQExBzNwSt_lY&ust=1741704501637000&source=images&cd=vfe&opi=89978449&ved=0CBQQjRxqFwoTCIjKxY3h_4sDFQAAAAAdAAAAABAJ
- Anderson, B., Li, H., & Kumar, S. (2018). Regulatory and ethical considerations in AI-based drug discovery. Drug Discovery Today, 23(10), 1598–1605.
- Allen, T., & Roberts, M. (2021). Recent advances in AI applications for drug discovery. Expert Review of Molecular Diagnostics, 21(3), 275–286.
- Brown, N., & Ertl, P. (2019). Applications of machine learning in drug discovery. Journal of Cheminformatics, 11(1), 32.
- Chen, H., Engkvist, O., Wang, Y., Olivecrona, M., & Blaschke, T. (2018). The rise of deep learning in drug discovery. Drug Discovery Today, 23(6), 1241–1250.
- Davis, J., & Chen, D. (2020). AI methodologies in drug repurposing for infectious diseases. Frontiers in Pharmacology, 11, 123.
- Gupta, R., & Kaur, H. (2021). Deep learning in molecular docking and drug design. Journal of Chemical Information and Modeling, 61(3), 1422–1430.
- Kim, H., Park, S., & Lee, J. (2018). Machine learning applications in identifying novel antibiotics. Journal of Molecular Modeling, 24(6), 123.
- Liu, J., Wang, L., & Zhao, Q. (2020). Integration of cheminformatics and AI for antimicrobial drug discovery. Bioinformatics, 36(8), 2528–2534.
- Martin, E., Thompson, R., & Patel, S. (2017). Machine learning in the design of new antibiotics. Bioorganic & Medicinal Chemistry, 25(24), 6677–6684.
- Miller, C., Johnson, D., & Rivera, M. (2019). Data integration in antibiotic resistance research: AI perspectives. BioMed Research International, 2019, Article ID 7891620.
- Morgan, S. L., Lee, K., & White, J. (2018). The application of AI for antibacterial drug discovery. Journal of Antibiotics, 71(9), 1157–1166.
- O’Connor, S., Zhang, Y., & Ramirez, P. (2019). Bridging cheminformatics and bioinformatics using AI. Computational Biology and Chemistry, 81, 100–107.
- Patel, A., & Gupta, S. (2019). Computational approaches to drug discovery: A review. Current Pharmaceutical Design, 25(29), 3072–3082.
- Rivera, M., Singh, R., & Brown, L. (2020). AI-driven molecular docking in drug discovery. Journal of Computer-Aided Molecular Design, 34(2), 155–165.
- Roberts, D., Nguyen, T., & Miller, A. (2017). Molecular fingerprinting and machine learning for antibiotic discovery. ACS Chemical Biology, 12(10), 2421–2428.
- Singh, R., & Kumar, A. (2019). A review on the use of AI in combating antibiotic resistance. Expert Opinion on Drug Discovery, 14(6), 501–511.
- Tan, K., Wong, P., & Lim, Y. (2020). Advances in QSAR modeling for antibacterial agents. European Journal of Medicinal Chemistry, 187, 111949.
- Williams, J., Davis, R., & Thompson, L. (2020). AI and high-throughput screening in drug discovery. Nature Reviews Drug Discovery, 19(11), 789–803.
- Zhao, Q., Li, X., & Chen, M. (2018). Predicting antimicrobial activity using machine learning models. PLOS ONE, 13(7), e0200525.
- Zhang, Y., Chen, P., & Wang, J. (2020). AI-powered drug repurposing: Accelerating discovery for infectious diseases. Journal of Medicinal Chemistry, 63(14), 8028–8035.