Molecular docking, MM/GBSA and 3D-QSAR studies on EGFR inhibitors
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منابع مشابه
Molecular Docking and 3D-QSAR Studies on Substituted Imidazoles as Inhibitors of P38α MAP Kinase
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The expression of heat shock protein 27 (Hsp27) as a chaperone protein, is increased in response to various stress stimuli such as anticancer chemotherapy. This phenomenon can lead to survive of the cells and causes drug resistance. In this study, a series of methanesulfonamide derivatives as dual Hsp27 and tubulin inhibitors in the treatment of cancer were applied to quantitative structure–act...
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متن کاملMolecular docking and 3D-QSAR studies of Yersinia protein tyrosine phosphatase YopH inhibitors.
Three-dimensional quantitative structure-activity relationship (QSAR) studies were conducted on two classes of recently explored compounds with known YopH inhibitory activities. Docking studies were employed to position the inhibitors into the YopH active site to determine the probable binding conformation. Good correlations between the predicated binding free energies and the inhibitory activi...
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ژورنال
عنوان ژورنال: Journal of Chemical Sciences
سال: 2016
ISSN: 0974-3626,0973-7103
DOI: 10.1007/s12039-016-1103-3