Natural product fragment combination to performance-diverse pseudo-natural products.

ABSTRACT: Natural product structure and fragment-based compound development inspire pseudo-natural product design through different combinations of a given natural product fragment set to compound classes expected to be chemically and biologically diverse. We describe the synthetic combination of the fragment-sized natural products quinine, quinidine, sinomenine, and griseofulvin with chromanone or indole-containing fragments to provide a 244-member pseudo-natural product collection. Cheminformatic analyses reveal that the resulting eight pseudo-natural product classes are chemically diverse and share both drug- and natural product-like properties. Unbiased biological evaluation by cell painting demonstrates that bioactivity of pseudo-natural products, guiding natural products, and fragments differ

SUBMITTER: Grigalunas M 

PROVIDER: S-EPMC7994817 | biostudies-literature | 2021 Mar

REPOSITORIES: biostudies-literature