Synthesis of New Brassinosteroid Analogs with Androstane Skeleton and Heterocyclic Acyl Side Chains: Preliminary Molecular Docking Studies.

ABSTRACT: Brassinosteroid analogs with heterocyclic rings in the side chain are interesting because important biological activity has been shown by these compounds. Thus, herein, five 23-24-dinorcholane BR analogs with a heterocyclic ester function at C-22 were synthesized and fully characterized by different spectroscopic techniques. The acylation reaction at C-22, which is a key synthetic step, was carried out by two different methods, namely acylation with heterocyclic acid chlorides and Steglich esterification reaction. In both cases, the acyl derivatives were obtained with good yields. Additionally, a preliminary molecular docking study of BRI1-BAK1 complexes formed by these analogs and brassinolide was performed to estimate what their biological activity would be. Results indicate that the com

SUBMITTER: Araya O 

PROVIDER: S-EPMC12526290 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature