title: Binding interactions of porphyrin derivatives with Ca(2+) ATPase of sarcoplasmic reticulum (SERCA1a).
abstract: The use of Porphyrin derivatives as photosensitizers in Photodynamic Therapy (PDT) was investigated by means of a molecular docking study. These molecules can bind to intracellular targets such as P-type CaCa(2+) ATPase of sarcoplasmic reticulum (SERCA1a). CAChe software was successfully employed for conducting the docking of Tetraphenylporphinesulfonate(TPPS), 5,10,15,20- Tetrakis (4-sulfonatophenyl) porphyrinato Iron(III) Chloride (FeTPPS) and 5,10,15,20-Tetrakis (4-sulfonatophenyl) porphyrinato Iron(III) nitrosyl Chloride (FeNOTPPS) with CaCa(2+) ATPase from sarcoplasmic reticulum of rabbit. The results show that FeNOTPPS forms the most stable complex with CaCa(2+) ATPase.
authors.affiliation: Department of Biochemistry, Faculty of Medicine and Applied Medical Sciences.
authors.forename: Abdul
authors.initials: A
authors.lastname: Hai
authors.forename: Nadeem A
authors.initials: NA
authors.lastname: Kizilbash
authors.forename: Syeda Huma H
authors.initials: SH
authors.lastname: Zaidi
authors.forename: Jamal
authors.initials: J
authors.lastname: Alruwaili
keywords: Molecular docking; Photodynamic therapy; Photosensitizers; Porphyrin derivatives