Analytical and in silico study of the inclusion complexes between tropane alkaloids atropine and scopolamine with cyclodextrins

Abstract Datura stramonium L. (Solanaceae) possesses a rich tropane alkaloids (TAs) spectrum. The plant contains, in particular, the allelopathic compounds scopolamine and atropine, which are poorly soluble water, thus limiting their use agrochemical formulations as biocidal deterrent agents against herbivore insects. efficacy of hydrophobic TAs extracts could be increased with improvement dissolution/leaching properties. This is important for improving screening test performance elucidating activity environmentally friendly agricultural approaches, new perspectives production those biodegradable insecticidal products. present study explores aspects atropine complexation cyclodextrin (CDs) through FT-IR UV–Vis spectroscopies. In addition, structures inclusion complex β-CD have been investigated by molecular modeling techniques. results obtained indicate that β-CDs promising carriers properties TAs, therefore increasing application potential formulations. Graphic abstract