References
- Baselga J, Arteaga CL. Critical update and emerging trends in epidermal growth factor receptor targeting in cancer. J Clin Oncol 2005;23:2445–59
- Olayioye MA. Update on HER-2 as a target for cancer therapy: intracellular signaling pathways of ErbB2/HER-2 and family members. Breast Cancer Res 2001;3:385–9
- Levitzki A, Mishani E. Tyrphostins and other tyrosine kinase inhibitors. Annu Rev Biochem 2006;75:93–109
- Barlesi F, Tchouhadjian C, Doddoli C, et al. Gefitinib (ZD1839, Iressa) in non-small-cell lung cancer: a review of clinical trials from a daily practice perspective. Fund Clin Pharmacol 2005;19:385–93
- Ganjoo KN, Wakelee H. Review of erlotinib in the treatment of advanced non-small cell lung cancer. Biologics 2007;1:335–46
- Ryan Q, Ibrahim A, Cohen MH, et al. FDA drug approval summary: lapatinib in combination with capecitabine for previously treated metastatic breast cancer that overexpresses HER-2. Oncologist 2008;13:1114–19
- Rewcastle GW, Denny WA, Bridges AJ, et al. Tyrosine kinase inhibitors. 5. Synthesis and structure-activity relationships for 4-[(phenylmethyl)amino]- and 4-(phenylamino)quinazolines as potent adenosine 5′-triphosphate binding site inhibitors of the tyrosine kinase domain of the epidermal growth factor receptor. J Med Chem 1995;38:3482–7
- Abouzid K, Shouman S. Design, synthesis and in vitro antitumor activity of 4-aminoquinoline and 4-aminoquinazoline derivatives targeting EGFR tyrosine kinase. Bioorg Med Chem 2008;16:7543–51
- Rocco SA, Barbarini JE, Rittner R. Syntheses of some 4-anilinoquinazoline derivatives. ChemInform 2004;3:429–35
- Abouzid K, Youssef KM, Amine FM, et al. Synthesis of 1,4-disubstituted piperazines as potential antihypertensive agents. Egypt J Pharma Sci 1989;30:429–36
- Sharma VM. Inventor novel anticancer agents process for their preparation and pharmaceutical compositions containing them. Indian patent WO 2004069145; 2004
- Stamos J, Sliwkowski MX, Eigenbrot C. Structure of the epidermal growth factor receptor kinase domain alone and in complex with a 4-anilinoquinazoline inhibitor. J Biol Chem 2002;277:46265–72
- Zavodszky MI, Kuhn LA. Side-chain flexibility in protein–ligand binding: the minimal rotation hypothesis. Protein Sci 2005;14:1104–14
- Schrödinger Suite 2011 Protein Preparation Wizard; Epik version 2.2 S, LLC, New York, NY, 2011; Impact version 5.7, Schrödinger, LLC, New York, NY, 2011; Prime version 3.0, Schrödinger, LLC, New York, NY, 2011. Schrödinger Suite 2011 Protein Preparation Wizard; Epik version 2.2, Schrödinger, LLC, New York, NY, 2011; Impact version 5.7, Schrödinger, LLC, New York, NY, 2011; Prime version 3.0, Schrödinger, LLC, New York, NY, 2011
- Balius TE, Rizzo RC. Quantitative prediction of fold resistance for inhibitors of EGFR. Biochemistry 2009;48:8435–48
- Jacobson MP, Pincus DL, Rapp CS, et al. A hierarchical approach to all-atom protein loop prediction. Proteins Struct Funct Bioinf 2004;55:351–67
- Glide v, Schrödinger, LLC, New York, NY, 2011; Glide, version 5.7, Schrödinger, LLC, New York, NY, 2011
- Stewart J. Optimization of parameters for semiempirical methods V: modification of NDDO approximations and application to 70 elements. J Mol Model 2007;13:1173–213
- Frisch MJ, Trucks GW, Schlegel HB, et al. Gaussian 09 RA. Wallingford (CT): Gaussian, Inc.; 2009
- Jaguar v, Schrödinger, LLC, New York, NY, 2011; Jaguar, version 7.8, Schrödinger, LLC, New York, NY, 2011
- Friesner RA, Murphy RB, Repasky MP, et al. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein−ligand complexes. J Med Chem 2006;49:6177–96
- Du J, Sun H, Xi L, et al. Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM–GBSA calculation. J Comput Chem 2011;32:2800–9
- Kohler E, Chadwell H. Benzalacetophenone. Org Synth 1922;2:1–3
- Cho AE, Guallar V, Berne BJ, Friesner R. Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approach. J Comput Chem 2005;26:915–31
- Durrant JD, McCammon JA. Molecular dynamics simulations and drug discovery. BMC Biol 2011;9:71–9