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Bioinformation 2013
Binding interactions of porphyrin derivatives with Ca2+ ATPase of sarcoplasmic reticulum (SERCA1a)Keywords: Porphyrin derivatives , Molecular docking , Photodynamic therapy , Photosensitizers. 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 Ca2+ 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 Ca2+ ATPase from sarcoplasmic reticulum of rabbit. The results show that FeNOTPPS forms the most stable complex with Ca2+ ATPase.
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