چكيده به لاتين
So far, several methods have been proposed for the death of cancer cells, among which, chemotherapy has been considered as an effective treatment. Following the use of chemotherapy, photodynamic therapy (PDT), which is the so-called optical chemotherapy, has been proposed as an alternative treatment for drug-resistant cancers. Here, we study and model the synthesis of a new class of porphyrin derivatives that fall into the two groups of therapeutic compounds mentioned (chemotherapy and photodynamic therapy) that can have anti-cancer activity. In this study, a quantitative structure-property relationship study of QSPR was used using MLR multiple linear regression modeling to predict breast anticancer drug. In this study, a group of compounds including porphyrins, metalloporphyrins, chlorines, and phthalocyanines were tested in which breast MCF7 cells were treated for their cytotoxic activity against cancer cell lines. Was checked. The studied porphyrins have selective growth inhibitory activity against tested cancer cells and are classified as cytotoxic compounds based on IC50. Laboratory data of IC50 120 porphyrin composition extracted from the articles included two categories of structures related to photodynamics and chemistry, each of which was classified into two categories of training and testing. From 42 data related to photodynamics, 34 combinations were considered as training series and 8 combinations were considered as test series and out of 78 chemical combinations, 62 combinations were considered as training series and 16 combinations were considered as test series. In this study, modeling was performed with PASS and SPSS software. The interaction of porphyrin derivatives with histone deacetylase inhibitors was investigated by molecular docking. As a result of comparing this modeling, structure 9 of the structures related to photodynamics, which is a metalloporphyrin structure, and structure 16 of the chemical structures, which is also metalloporphyrin, as the best structure in terms of energy and biological properties from the comparison of docking results. , SPSS, PASS, which we brought in the fourth chapter, became known.
