OBJECTIVE  Design and screening of a novel class of dihydropyridine compounds with both potent antioxidant and sunscreen properties.

METHODS  Utilizing a fragment-based drug design strategy, a series of novel compounds based on the dihydropyridine structure were designed and synthesized, and their structures were subsequently verified by nuclear magnetic resonance and high-resolution mass spectrometry. The DPPH, ABTS and FRAP methods were used to assess the antioxidant capacity of this series of compounds, while UV spectrophotometry was used to evaluate their UV absorption capability. The aim was to identify compounds with both potent antioxidant and sunscreen properties and to analyze the structure-activity relationships.

RESULTS  A total of 29 novel dihydropyridine compounds were successfully constructed and their structures were confirmed. Compounds ZA01, ZA31, ZC01, and ZC32 with excellent antioxidant capacity and compounds ZA01, ZA31, ZC01, ZC11, and ZC13 with strong ultraviolet absorption capacity were identified. Among them, ZA01, ZA31, and ZC01 exhibits both potent antioxidant and sunscreen properties.

CONCLUSION  Introduction of 3-methoxy-4-hydroxyphenyl at position 4 of the dihydropyridine nucleus can significantly enhance antioxidant and UV absorption capabilities. Introduction of p-nitrophenyl at position 4 can result in broad-spectrum UV absorption capabilities, while introduction of tert-butyl can significantly improve absorption capabilities in the UVB range. Compounds represented by ZA01, ZA31, and ZC01 have the potential to be further developed into highly effective sunscreens or antioxidants.