Impact of Climate Change on the Composition and Bioactivity of <i>Inula viscosa</i> Essential Oils: In Vitro, <i>In Silico</i> , and <scp>ADME</scp> Analysis

Medicinal plants, rich in secondary metabolites, play a crucial role in drug development. Climate change, driven by industrialization, affects plant growth and the production of these metabolites. The research explores how climate change influences the phytochemical profile as well as the antioxidant and antidiabetic activities of <i>Inula viscosa.</i> The three samples were subjected to contrasting climatic conditions, ranging from a normal climate to progressively intensified combined heat and drought stress over 4 years (Sample 1 under normal seasonal temperature and rainfall; Sample 2 with a 5 C temperature increase and 50% reduced irrigation; and Sample 3 exposed to a 10 C temperature rise and 75% water deficit). Essential oils were extracted and evaluated for antioxidant activity (DPPH, ABTS, and β-carotene bleaching) and their antidiabetic potential through the inhibition of α-amylase and α-glucosidase. In silico analyses, including molecular docking and ADME profiling, were performed, using AutoDockTools and SwissADME, to assess the potential of phytochemicals as inhibitors and their pharmacokinetic properties. The essential oils exhibited significant antioxidant activity, with Sample 2 showing the highest DPPH, ABTS, and β-carotene bleaching activities. Additionally, notable antidiabetic effects were observed, with Sample 2 exhibiting the strongest inhibitory activity against α-amylase and α-glucosidase. Molecular docking studies revealed promising affinities of phytochemicals, such as caryophyllene oxide and α-cuprenene, for α-amylase and α-glucosidase, supporting their potential as antidiabetic agents. These findings highlight the influence of climatic conditions on the biological activity of essential oils. <i>I. viscosa</i> essential oils from arid climates exhibit enhanced antioxidant and antidiabetic properties, with potential therapeutic applications. These effects are closely linked to climate-driven changes in the chemical composition of the oils.