Theoretical and photodynamic therapy characteristics of heteroatom doped detonation nanodiamonds linked to asymmetrical phthalocyanine for eradication of breast cancer cells

An amide mono substituted benzothiozole phthalocyanine: zinc(II) 3-(4-((3,17,23-tris(4-(benzo [di thiazol-2-y1) phenoxy)-9-yl)oxy) phenyl)amide phthalocyanine (NH(2)BzPc) was covalently linked to undoped and heteroatom doped detonation nanodiamonds (DNDs): B@DNDs, P@DNDs, S@DNDs, N@DNDs, and S&N@DNDs There is a drastic decrease in highest occupied molecular orbital (HOMO) - lowest unoccupied molecular orbital (LUMO) energy gaps for nanoconjugates compared to DNDs alone. B@DNDs-NH(2)BzPc, S&N@DNDs-NH(2)BzPc, and P@DNDs-NH(2)BzPc showed superior photodynamic therapy (PDT) effects. DNDs-NH(2)BzPc also had a small HOMO-LUMO gap, but did not show improved PDT activity compared to the Pc alone, suggesting doping of DNDs is important. This study shows improved PDT effect on Michigan Cancer Foundation-7 breast cancer lines at 7.63%, 7.62% and 6.5% cell viability for P@DNDs-NH(2)BzPc, S&N@DNDs-NH(2)BzPc and B@DNDs-NH(2)BzPc, respectively.