Phenolate-based bioactive compounds: Design, delivery and biomedical applications

Phenolate-based compounds benefit from salt or complex forms, boosting solubility and bioactivity. Rational design for the phenolate-based salts and complexes might provide us novel types of bioactive phenolates. pH influences these processes and self-association affects the solubility. Salts dissociation propensity of phenolic-based pharmaceuticals are influenced by solubility, pH, pK a , K sp , and pH max . Along with smart delivery systems responded by external-internal stimulus of these compounds like metal polyphenolic networks (MPNs) serve effective anticancer, anti-inflammatory, antimicrobial activities in biomedical applications. Metal-phenolic compounds provide theranostic bioimaging like positron emission tomography (PET), fluorescence imaging (FI) including potential applications in agriculture and food. Moreover, artificial intelligence (AI)-driven drug architecture enhancements are discussed using machine learning (ML) technique. The technique involves creating bioactive materials by reacting phenolic medications with metals and other additives, modifying properties significantly. This review emphasizes the design and characterization of phenolate salts and complexes through comparative studies, smart delivery systems highlighting, offering insights into mechanisms, benefits, and biomedical advancements.