Hydration effects on the efficacy of the Epidermal growth factor receptor kinase inhibitor afatinib

• Main Authors: Kannan, Srinivasaraghavan, Pradhan, Mohan R., Tiwari, Garima, Tan, Wei-Chong, Chowbay, Balram, Tan, Eng Huat, Tan, Daniel Shao-Weng, Verma, Chandra
• Other Authors: School of Biological Sciences
• Format: Article
• Language: English
• Published: 2017
• Subjects: Drug discovery; Computational biophysics
• Online Access: https://hdl.handle.net/10356/83625; http://hdl.handle.net/10220/42687
• Institution: Nanyang Technological University

Small molecules targeting the EGFR tyrosine kinase domain have been used with some success at treating patients with non-small cell lung cancer driven by activating mutations in the kinase domain. The initial class of inhibitors displaced ATP noncovalently but were rendered ineffective due to the de...