FROM EMPIRICAL HERBAL MEDICINE TO PREDICTIVE THERAPEUTICS: THE ROLE OF AI AND MULTI-OMICS

Abstract

Purpose: Medicinal plants are the richest source of structurally diverse biologically active compounds. Herbal leads discovery can also be accelerated using artificial intelligence and multi omics technologies. This review evaluates and summarizes the applications of artificial intelligence (AI), multi-omics, synthetic biology, and biomanufacturing in advancing research for herbal therapeutics. Virtual computational screening, deep learning, and molecular docking extremely accelerate lead identifications, structure-activity predictions, and target identification. Method: We comprehensively examine literature on virtual computational screening, deep learning, molecular docking, multi-omics platforms, genome mining, CRISPR-based synthetic biology, and emerging tools like organ-on-a-chip systems and nanobiotechnology using PubMed, ScienceDirect and Google Scholar. Result: Virtual screening, deep learning, and molecular docking extremely accelerate lead identifications, structure-activity predictions, and target identification. Simultaneously, multi-omics platforms evaluate system-level metabolic networks, regulatory pathways, and host–microbiome interactions. Genome mining and CRISPR-based synthetic biology unlock cryptic metabolic pathways and enable scalable, sustainable production of high-value natural products. Furthermore, tools like organ-on-a-chip systems and nanobiotechnology bridge the gap toward precision herbal medicine and standardization. Conclusion: By integrating these multidisciplinary strategies, herbal drug discovery is evolving from empirical observation toward predictive, sustainable, and mechanism-driven pharmaceutical science. Finally, key challenges like data standardization, explainable AI, experimental validation, and regulatory approval must be addressed for clinical translation.