Enhanced Bioactivity of Natural Products by Halogenation: A Database Survey and Quantum Chemistry Calculation Study

Natural products (NPs) have long been the cornerstone of drug discovery. Halogenated organic NPs are limited, while around one-fourth of approved chemical drugs are organohalogens. This suggests that the introduction of halogens into NPs may enhance their potential for transformation into drugs. In this study, we utilized a matched molecular pair (MMP) approach alongside a database survey to investigate the impact of halogenation on this transformation. The study revealed that halogenation...