Management of Gefitinib resistance in lung cancer utilizing virtual screening techniques
Lung cancer accounts for the majority of the deaths across the world. It’s not only the smoking but there are numerous reasons for the occurrence of lung cancer. The 5-year survival rate for lung cancer is 56 % for the cases in which the disease is still present within the lungs. The recent advance...
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description | Lung cancer accounts for the majority of the deaths across the world. It’s not only the smoking but there are numerous reasons for the occurrence of lung cancer. The 5-year survival rate for lung cancer is 56 % for the cases in which the disease is still present within the lungs. The recent advance in drug design has made Gefitinib, a popular drug utilized for the treatment of NSCLC. Gefitinib was permitted by US FDA Department in the year of 2003. Moreover available reports suggest that there is resistance for the action of gefitinib treatment because of changes in the PI3K/AKT signaling pathway. In this present work, insilico studies were performed with the assistance of Pubchem database to find the potent inhibitor against the lung cancer EGFR mutation. Computational tools such as molinspiration cheminformatics and OSIRIS property explorer were employed to check the efficacy of the screened drug molecules. Further, the data reduction of the molecules was carried out utilizing Patchdock software. Our research clearly indicates that CID: 5329022 which is an anilinoquinazoline derivative could be a potential drug molecule to overcome gefitinib resistance associated with NSCLC. |
doi_str_mv | 10.1063/5.0192662 |
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It’s not only the smoking but there are numerous reasons for the occurrence of lung cancer. The 5-year survival rate for lung cancer is 56 % for the cases in which the disease is still present within the lungs. The recent advance in drug design has made Gefitinib, a popular drug utilized for the treatment of NSCLC. Gefitinib was permitted by US FDA Department in the year of 2003. Moreover available reports suggest that there is resistance for the action of gefitinib treatment because of changes in the PI3K/AKT signaling pathway. In this present work, insilico studies were performed with the assistance of Pubchem database to find the potent inhibitor against the lung cancer EGFR mutation. Computational tools such as molinspiration cheminformatics and OSIRIS property explorer were employed to check the efficacy of the screened drug molecules. Further, the data reduction of the molecules was carried out utilizing Patchdock software. 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It’s not only the smoking but there are numerous reasons for the occurrence of lung cancer. The 5-year survival rate for lung cancer is 56 % for the cases in which the disease is still present within the lungs. The recent advance in drug design has made Gefitinib, a popular drug utilized for the treatment of NSCLC. Gefitinib was permitted by US FDA Department in the year of 2003. Moreover available reports suggest that there is resistance for the action of gefitinib treatment because of changes in the PI3K/AKT signaling pathway. In this present work, insilico studies were performed with the assistance of Pubchem database to find the potent inhibitor against the lung cancer EGFR mutation. Computational tools such as molinspiration cheminformatics and OSIRIS property explorer were employed to check the efficacy of the screened drug molecules. Further, the data reduction of the molecules was carried out utilizing Patchdock software. 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subjects | Lung cancer Software |
title | Management of Gefitinib resistance in lung cancer utilizing virtual screening techniques |
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