Computer-Aid Design of Novel Sulfonamide Derivatives as EGFR Kinase Inhibitors for Cancer Treatment
نویسندگان
چکیده
Several novel sulfonamide-derivatives were designed and studied their physicochemical properties to develop kinase inhibitors. Therefore, molecular docking was performed for the compounds against epidermal growth factor receptor (PDB ID: 2ITY) identify new drug candidates treating cancer. Binding free energy calculated by Molegro virtual docker (MVD) select most promising hits. The corresponding score values into EGFR of 4b gave best —128.819 Kcal/mol. identified hits can serve as starting points further chemical synthesis optimization potent anticancer agents.
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ژورنال
عنوان ژورنال: International Journal of Organic Chemistry
سال: 2021
ISSN: ['2161-4695', '2161-4687']
DOI: https://doi.org/10.4236/ijoc.2021.114012