Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR

Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR

Abstract Drug design of protein kinase inhibitors is now greatly enabled by thousands of publicly available X-ray structures, extensive ligand binding data, and optimized scaffolds coming off patent. The extensive data begin to enable design against a spectrum of targets (polypharmacology); however,...

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Bibliographic Details
Main Authors: Dilip Narayanan, Osman A. B. S. M. Gani, Franz X. E. Gruber, Richard A. Engh
Format: Article
Language:English
Published: BMC 2017-07-01
Series:Journal of Cheminformatics
Subjects:
Lung cancer
Structure based drug design
ALK
MET
EGFR
Protein kinase inhibitor
Online Access:http://link.springer.com/article/10.1186/s13321-017-0229-8

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