Quantitative structure-activity relationship studies on acetylcholinesterase enzyme inhibitory effects of Amaryllidaceae alkaloids

Quantitative structure-activity relationship (QSAR) studies on 24 Amaryllidaceae alkaloids, belonging to five ring types, as acetylcholinesterase inhibitors were carried out using physicochemical properties as descriptors. Multiple linear regression analysis of the data has shown that strain energy, heat of formation and substituents at both the aromatic ring and ring C play important roles in the development of the QSAR model. The contribution of substituents at ring C to the model was further supported when strain energy was omitted from the model and ring-type based QSAR analysis for crinine- and lycorine-type alkaloids were performed.