Exploring QSARs for inhibitory effect of a set of EGFR tyrosine Kinase inhibitors by GA-MLR and molecular Docking simulations

On (March 22, 2024),  (Omar Deeb) published a new study in (British Journal of Multidisciplinary and Advance Studies: Health and Medical Sciences 5(2), 12-40, 2024) titled (Exploring QSARs for inhibitory effect of a set of EGFR tyrosine Kinase inhibitors by GA-MLR and molecular Docking simulations). The article aimed to (derive statistically robust and appropriately validated multiple QSAR models using easily interpretable molecular descriptors and molecular docking analysis). The results of this study demonstrated that (It has been discovered that a number of  Phenylamino)pyrido[3,2-d]pyrimidine-6-acrylamides, Methyl amino-Substituted Derivatives of 4-[(3-Bromophenyl)amino]-6-(methylamino)- pyrido[3,4-d] pyrimidine based compounds, Pyrrolo- and Pyrazoloquinazoline and 6-Substituted 4-Anilinoquinazolines and 4-Anilinopyrido[3,4-d]pyrimidines derivatives inhibitory action is closely related to a number of different physicochemical characteristics. The MLR model [Eq. 1] has been used to suggest some novel compounds with improved activity. It has been demonstrated how the predicted compounds interact with the enzyme using the docking study. All predicted compounds were discovered to have several hydrogen bonds with the receptor and involve their bulky groups in strong steric interactions with specific places of the enzyme. The proposed compounds exhibit good pharmacokinetic properties, according to the analysis of their pharmacokinetic profiles). For more information about the study, please contact the main author at (This email address is being protected from spambots. You need JavaScript enabled to view it. or This email address is being protected from spambots. You need JavaScript enabled to view it.) or the scientific research office at (This email address is being protected from spambots. You need JavaScript enabled to view it.)