Background: Plants of the Amaryllidaceae family have been under intense scrutiny for the presence of a couple of alkaloidal secondary metabolites with endued cytotoxic activity, such as pancratistatin (), 7-deoxypancratistatin (), narciclasine (), 7-deoxynarciclasine (), -dihydronarciclasine (), and 7-deoxy--dihydronarciclasine (). Nevertheless, preclinical evaluation of these alkaloids has been put on hold because of the limited quantity of materials available from isolation.
Aim: To explore the underlying cytotoxic molecular mechanisms of the Amaryllidaceae alkaloids () and to assess their absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiles using chemoinformatic tools.