Co-assemblies based on natural Hemslecin A and β-sitosterol as a new sight for synergistic anti-gastric cancer efficacy in TCM

The curative effect of traditional Chinese medicine (TCM) is definite, but the material basis of TCM is not clear enough, or some known natural small molecules (NSMs) perform favorable pharmacological activities, however, the functioning modes of therapeutic effect need to be further elucidated. Here, we first report the co-assembly properties of tetracyclic triterpenoids and steroid derived from Chinese herb Hemsleya penxianensis. The changes of morphology, properties and driving force as well as the mechanism of co-assembly are explored by chemical characterization and computer simulation. Furthermore, the co-assembled drugs exhibit a remarkably enhanced, synergistic anticancer efficacy. The reasons could be that morphology and hydrophilicity are improved after their interaction, thus making co-assembly adhere to the cells more easily to exert its effects. This research not only expands the potential application of natural products, but also provides the new sight of TCM (H. penxianensis) in therapeutic effect with their inner substance co-assemblies. [Display omitted] •A new perspective was provided to explain how TCM (Hemsleya penxianensis) works.•The co-assembly properties of natural small molecules derived from Chinese herb Hemsleya penxianensis were reported firstly.•The properties and driving force of co-assembly were explored by chemical and electron microscopic characterization.•The mechanism of co-assembly was proposed in detail.•The co-assembly exhibited a synergistic anticancer efficacy.