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Nowadays the photodynamic therapy (PDT) with using photosensitizers is among the most progressive cancer treatments and is actively investigated for light-accessible cancers such as prostate. For improving the tumor-specific delivery of photosensitizers the last can be targeted to prostate-specific membrane antigen (PSMA) that overexpressed on the surface of prostate tumors and in the neovascular endothelium of most solid tumors such as lung, colon, pancreas, renal cell and melanoma. Majority of small-molecules PSMA ligands/inhibitors involves glutamate ureas moieties and demonstrates improved pharmacokinetic features and principally blood clearance in comparison with traditionally applied for PDT antibodies. Many studies on early diagnostics and treatment of tumor diseases based on the lower pH of tumor cells in contrast with healthy cells, but there is no article’s observing the intramolecular interactions of urea moieties within tumor cells.