Year: 2026
Type: article
Abstract: Natural products remain a major source of new therapeutic agents, and many clinically important drugs originate from bioactive scaffolds refined through modern chemistry. Traditional discovery approaches rely on empirical knowledge and labour-intensive extraction, and they face challenges such as variability in source materials, limited standardisation, and ethical considerations. Advances in computational science now create new opportunities for discovery and development. Cheminformatics, artificial intelligence, and network pharmacology provide rapid screening, predictive modelling, and mechanistic interpretation. The integration of genomics, transcriptomics, proteomics, and metabolomics creates a systems-level perspective on biosynthetic pathways and molecular complexity. This perspective strengthens analytical accuracy, reduces material requirements, and supports sustainable innovation. This review describes the evolution of natural-product drug discovery in the computational era and highlights the role of digital technologies in modern product development.
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: diamond
Funder: Univerzita Palackého v Olomouci
OpenAlex ID: W7141216906