This paper presents a strategy for the biofunctionalization of novel photosensitizer carriers, mesoporous silica nanoparticles (MSNs). After being calcined and absorbed with photosensitizers (hypocrellin B, HB), MSNs can be coated with a lipid layer. Transmission electron microscopy (TEM) and confocal laser scanning microscopy (CLSM) results proved that HB molecules can be loaded into MSN porous and lipid can coated on the surface of the nanoparticles. When co-cultured with cancer cells (MCF-7), MSNs can transport HB molecules into cells and present low cytotoxicity. With the introduction of a lipid layer, the efficiency of MSN uptake by cells can be improved. These intracellular HB-loaded MSN materials also present cytotoxicity to MCF-7 cells after light irradiation which indicates the materials can be used as good photosensitizer carriers in photodynamic therapy.