3D-QSAR and molecular docking studies of 4-anilinoquinazoline derivatives: a rational approach to anticancer drug design

Author:

Nandi Sisir,Bagchi Manish C.

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Drug Discovery,Molecular Biology,General Medicine,Information Systems,Catalysis

Reference27 articles.

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2. Ballard P, Bradbury RH, Hennequin LFA, Hickinson DM, Johnson PD, Kettle JG, Klinowska T, Morgentin R, Ogilvie DJ, Olivier A (2005) 5-Substituted 4-anilinoquinazolines as potent, selective and orally active inhibitors of erbB2 receptor tyrosine kinase. Bioorg Med Chem Lett 15: 4226–4229. doi: 10.1016/j.bmcl.2005.06.068

3. Rewcastle GW, Denny WA, Bridges AJ, Zhou H, Cody DR, McMichael A, Fry DW (1995) Tyrosine kinase inhibitors. 5. Synthesis and structure–activity relationships for 4-[(phenylmethyl) amino]- and 4-(phenylamino)quinazolines as potent adeonosine-5^ʹ-triphosphate binding site inhibitors of the tyrosine kinase domain of the epidermal growth factor receptor. J Med Chem 38: 3482–3487. doi: 10.1021/jm00018a008

4. Gibson KH, Grundy W, Godfrey AA, Woodburn JR, Ashton SE, Curry BJ, Scarlett L, Barker AJ, Brown DS (1997) Epidermal growth factor receptor tyrosine kinase: structure–activity relationships and antitumour activity of novel quinazolines. Bioorg Med Chem Lett 7: 2723–2728. doi: 10.1016/S0960-894X(97)10059-2

5. Hennequin LFA, Ballard P, Boyle FT, Delouvrie B, Ellston RPA, Halsall CT, Harris CS, Hudson K, Kendrew J, Pease JE, Ross HS, Smith P, Vincent JL (2006) Novel 4-anilinoquinazolines with C-6 carbon-linked side chains: synthesis and structure–activity relationship of a series of potent, orally active, EGF receptor tyrosine kinase inhibitors. Bioorg Med Chem Lett 16: 2672–2676. doi: 10.1016/j.bmcl.2006.02.025

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