Artificial intelligence-assisted identification and screening strategies in sweetener design

The burgeoning consumer demand for healthier and sustainable alternatives to conventional sugars has catalyzed significant innovation for the design of artificial sweeteners. This critical review delves into the transformative role of artificial intelligence (AI) for the research and development of novel sweeteners, offering a multifaceted analysis of the intersection between AI and sweetener design. The review traverses the spectrum of AI applications, and emphasizes critical role of AI in virtual screening, especially in relation to the structures of sweet taste receptor. The synergy between molecular dynamics simulation and structure-based virtual screening (SBVS) is spotlighted as a key strategy to bolster the efficiency and precision in the identification of potential sweeteners. Moreover, the review dedicates the utilization of AI-driven strategies within the realm of quantitative structure-activity relationship (QSAR) modeling, revealing groundbreaking methods that eclipse conventional techniques. The use of AI can predict the ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) profiles of sweeteners, a crucial component in fully comprehending their pharmacokinetic behaviors. This review highlights the transformational effect of AI on the development and screening of sweeteners, introducing groundbreaking perspectives and techniques poised to dramatically transform the domains of the food and pharmaceutical industries.