Time-Dependent Comparison of the Structural Variations of Natural Products and Synthetic Compounds.

ABSTRACT: The identification of natural products (NPs) has played a pivotal role in drug discovery and shaped the evolution of synthetic compounds (SCs). However, the extent to which NPs have historically influenced the structural characteristics of SCs remains unclear. In this study, we conducted a comprehensive, time-dependent chemoinformatic analysis to investigate the impact of NPs on the structural evolution of SCs. The physicochemical properties, molecular fragments, biological relevance, and chemical space of the molecules from the Dictionary of Natural Products were compared in a time series fashion with a synthetic compound collection sourced from 12 databases. Our findings reveal that NPs have become larger, more complex, and more hydrophobic over time, exhibiting increased structural dive

SUBMITTER: Liu Y 

PROVIDER: S-EPMC11547171 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature