04/14/2020
Excited to announce our latest publication and collaboration with the Fourches group at NC State Chemistry, “SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides”. This advance allows in silico libraries of macrolides to be constructed based on the knowledge of polyketide biosynthesis. It’s a first step towards the generation of new bioactive macrolides by combining synthetic biology and computational chemistry.
We report on a new cheminformatics enumeration technology—SIME, synthetic insight-based macrolide enumerator—a new and improved software technology. SIME can enumerate fully assembled macrolides with synthetic feasibility by utilizing the constitutional and structural knowledge extracted from bi...