زهره مفروضي شاهرودي

In this research, the quantitative QSPR structure-property relationship was studied by using Best Multiple Linear Regression Modeling (BMLR), in order to predict IC50 values. Data of MCF-7 cell line data for 68 complexes in two sets of training (54 complexes) and test (14 complexes) and 30 complexes' data for MDA-MB-231 cell line in two sets of training (24 complexes) and test (6 complexes) were eva‎luated. After analyzing the chemical structure of bipyridine compounds, the correlation coefficient (R2) was investigated and the best descriptors based on the group contribution method were selected. In the MCF-7 cell line, R2 and R2adj values for the test set are 1.000 and for the training set are 0.999985 and 0.999983 respectively, and in the MDA-MB-231 cell line, the R2 and R2adj values for the test set are 1.000 and for the training set are 0.9665 and 0.9594 respectively. Plots were obtained for predicted IC50 logarithm values versus experimental IC50 logarithm values were very good and oriented. Accordingly, the equation of the model was obtained with the training set and then its accuracy and validity were eva‎luated with the test set. According to the comparisons of data, we achieved the satifacted model's result which can be used for designing new drugs and developing complex models for MCF-7, MDA-MB-231 cell lines. In this thesis, we try to review various articles on metal complexes of Platinum, Zinc, Cobalt, Manganese, Palladium, Ruthenium, Iridium, Cadmium, Copper, Tin, Iron, Gallium and Molybdenum for MCF-7 MDA-MB-231 cell lines.

سرطان پستان , كمپلكس هاي بي پيريدين , رده هاي سلوليMCF-7 ،MDA-MB-231 , QSPR , IC50 , BMLR

Breast cancer , bipyridine complexes , MCF-7 ،MDA-MB-231 Cell lines , QSPR , IC50 , BMLR

Zohre Mafroozi

Dr. Faranak Manteghi