9 June، 2020
The College of Science is discussing a PhD thesis on some groups of biologically active compounds
This morning, 7/6/2020, took place via electronic space, in the presence of Mrs.Dean of the College of Sciences, Assistant Professor Dr. Hyam Adel Ibrahim Al-Taii and Mr. Assistant Dean for Scientific Affairs Dr. Muhammed Subhi Humeed,Abdullah Ali discussing the PhD thesis of the student (Shaima Hashim AbdelRahman) from the Department of Physical Chemistry / Physical Chemistry and tagged B (study the relationship of specific effectiveness and quantitativesynthetic QSAR for some groups of biologically active compounds) under thesupervision of Professor (Rabah Ali Khalil)The study aimed at the possibility of obtaining improved relationships linking the
biological activity of 31 pharmacokinetic derivatives of isatin with the theoretical properties calculated from the applications of quantum mechanics in order to predict new drug compounds and interpret their action as a bacterial antagonist.The QSAR was developed to overcome statistical negatives, including probability, as it was called SIQSAR, meaning statistically intensive QSAR. Four
SIQSAR intense mathematical models were suggested that refer to different antibiotics and that included only two description factors, which gave excellentresults in both statistical and physical terms. The values of correlation coefficient r2 ranged between (0.996-0.967) and the values of the validation factor of q2(0.922-0.996). The results of this axis indicate that the topographical characteristics have a strong relationship with the biological activity in addition to the effect of the electronic field.New drug compounds with higher efficiency in terms of biological efficacy werepredicted as well as less toxic through the mathematical model developed before
preparation, which saves a lot of time and cost, and the results indicate the accuracy and effectiveness of the intense mathematical model compared to themany studies that have been published in the literature. Another important development was made in QSPR by adding a 3D correction factor to the relationship between structure and physical properties.The discussion included the recommendation to grant the researcher a doctorate degree, after making the necessary amendments approved by the discussion committee.
