Synthesis, Biological Activity, and Molecular-Docking Studies of New Brassinosteroid Analogs.

ABSTRACT: Much work has been dedicated to the quest to determine the structure-activity relationship in synthetic brassinosteroid (BR) analogs. Recently, it has been reported that analogs with phenyl or benzoate groups in the alkyl chain present activities comparable to those shown by natural BRs, depending on the nature of the substituent in the aromatic ring. However, as it is well known that the activity depends on the structure of the whole molecule, in this work, we have synthesized a series of compounds with the same substituted benzoate in the alkyl chain and a hydroxyl group at C3. The main goal was to compare the activities with analogs with -OH at C2 and C3. Additionally, a molecular-docking study and molecular dynamics simulations were performed to establish a correlation between the expe

SUBMITTER: Nunez M 

PROVIDER: S-EPMC11432311 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature