Integrating Structural Bioinformatics and Functional Mechanisms of Sesquiterpene Synthases CARS and CADS in <i>Lavandula angustifolia</i> (Lavender).

ABSTRACT: Lavender species are economically valuable plants, widely cultivated for their essential oils (EOs), which include sesquiterpenes. The sesquiterpenes caryophyllene and cadinol are major constituents, contributing woody and balsamic notes. However, the specific enzymes catalyzing their formation in lavender have not been elucidated. This study reports the comprehensive functional and structural characterization of two pivotal sesquiterpene synthases from Lavandula angustifolia (lavender): caryophyllene synthase (CARS) and cadinol synthase (CADS). Mutation experiments were performed based on molecular docking predictions, revealing that negatively charged residues interact electrostatically with magnesium ions (Mg²⁺). Both deletion of 1-226 and 1-228 (∆1-226 and ∆1-228) dis

SUBMITTER: Liu D 

PROVIDER: S-EPMC12524728 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature