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Rapid development of piperidine carboxamides as potent and selective Anaplastic Lymphoma Kinase inhibitors Bryan MC, Whittington DA, Doherty EM, Falsey JR, Cheng AC, Emkey R, Brake RL, Lewis RT. J Med Chem. (2012) Link Fragment based drug discovery: practical implementation based on 19F NMR spectroscopy Jordan JB, Poppe L, Xia X, Cheng AC, Sun Y, Michelsen K, Eastwood H, Schnier PD, Nixey T, Zhong W. J Med Chem. 55, 678-687 (2012) Link Screening for lysine-specific demethylase-1 inhibitors using a label-free high-throughput mass spectrometry assay Plant M, Dineen T, Cheng A, Long AM, Chen H, Morgenstern KA. Anal Biochem. 419, 217-227 (2011) Link Benzodiazepinone Derivatives as CRTH2 Antagonists Liu J, Cheng AC, Tang HL, Medina JC ACS Med. Chem. Lett. 2, 515-518 (2011) Link Discovery of triazine-benzimidazoles as selective inhibitors of mTOR. Peterson EA, Andrews PS, Be X, Boezio AA, Bush TL, Cheng AC, Coats JR, Colletti AE, Copeland KW, Dupont M, Graceffa R, Grubinska B, Harmange JC, Kim JL, Mullady EL, Olivieri P, Schenkel LB, Stanton MK, Teffera Y, Whittington DA, Cai T, La DS. Bioorg Med Chem Lett. 21, 2064-2070(2011) Link Preparation, solid state characterization, and single crystal structure analysis of N-(4-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yloxy)benzo[d]thiazol-2-yl)acetamide crystal forms. Peterson ML, Stanton MK, Kelly RC, Staples R, Cheng A. CrystEngComm. 13, 1170-1180 (2011) Link Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. Cee VJ, Schenkel LB, Hodous BL, Deak HL, Nguyen HN, Olivieri PR, Romero K, Bak A, Be X, Bellon S, Bush TL, Cheng AC, Chung G, Coats S, Eden PM, Hanestad K, Gallant PL, Gu Y, Huang X, Kendall RL, Lin MH, Morrison MJ, Patel VF, Radinsky R, Rose PE, Ross S, Sun JR, Tang J, Zhao H, Payton M, Geuns-Meyer SD. J Med Chem. 53, 6368-6377 (2010) Link Enhanced selectivity profile of pyrazole-urea based DFG-out p38-alpha inhibitors. Liu H, Kuhn C, Feru F, Jacques SL, Deshmukh GD, Ye P, Rennie GR, Johnson T, Kazmirski S, Low S, Coli R, Ding YH, Cheng AC, Tecle H, English JM, Stanton R, Wu JC. Bioorg Med Chem Lett. 20, 4885-4891 (2010) Link Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index Cheng AC, Eksterowicz J, Geuns-Meyer S, Sun Y. J Med Chem. 53, 4502-4510 (2010) Link The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38 for high throughput screening binding assay. Tecle H, Feru F, Liu H, Kuhn C, Rennie G, Morris M, Shao J, Cheng AC, Gikunju D, Miret J, Coli R, Xi SH, Clugston SL, Low S, Kazmirski S, Ding YH, Cao Q, Johnson TL, Deshmukh GD, Dinitto JP, Wu JC, English JM. Chem Biol Drug Des. 74, 547-559 (2009) Link On the nature of intermolecular interactions in nucleic acid base-amino acid side-chain complexes. Czyznikowska Z, Lipkowski P, Gora RW, Zalesny R, Cheng AC. J Phys Chem B. 113, 11511-11520 (2009) Link Quinazolin-4-piperidin-4-methyl sulfamide PC-1 inhibitors: Alleviating hERG interactions through structure based design. Patel SD, Habeski WM, Cheng AC, de la Cruz E, Loh C, Kablaoui NM. Bioorg Med Chem Lett. 19, 3339-3343 (2009) Link Identification of allosteric PIF-pocket ligands for PDK1 using NMR-based fragment screening and 1H-15N TROSY experiments. Stockman BJ, Kothe M, Kohls D, Weibley L, Connolly BJ, Sheils AL, Cao Q, Cheng AC, Yang L, Kamath AV, Ding Y-H, Charlton ME. Chem Biol Drug Des. 73, 179-188 (2009) Link Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase. Cee VJ, Cheng AC, Romero K, Bellon S, Mohr C, Whittington DA, Bak A, Bready J, Caenepeel S, Coxon A, Deak HL, Fretland J, Gu Y, Hodous BL, Huang X, Kim JL, Lin J, Long AM, Nguyen H, Olivieri PR, Patel VF, Wang L, Zhou Y, Hughes P, Geuns-Meyer S. Bioorg Med Chem Lett. 19, 424-7 (2009) Link Discovery of alpha-amidosulfones as potent and selective agonists of CB2: synthesis, SAR, and pharmacokinetic properties. Marx IE, DiMauro EF, Cheng A, Emkey R, Hitchcock SA, Huang L, Huang MY, Human J, Lee JH, Li X, Martin MW, White RD, Fremeau RT Jr, Patel VF. Bioorg Med Chem Lett.19, 31-35 (2009) Link Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2. DiMauro EF, Buchanan JL, Cheng A, Emkey R, Hitchcock SA, Huang L, Huang MY, Janosky B, Lee JH, Li X, Martin MW, Tomlinson SA, White RD, Zheng XM, Patel VF, Fremeau RT Jr. Bioorg Med Chem Lett.18, 4267-4274 (2008) Link Predicting selectivity and druggability in drug discovery. Cheng AC. Annual Reports Comp Chem. 4, 23-37 (2008) PDF Link N-(3-(phenylcarbamoyl)arylpyrimidine)-5-carboxamides as potent and selective inhibitors of Lck: structure, synthesis and SAR. Deak HL, Newcomb JR, Nunes JJ, Boucher C, Cheng AC, DiMauro EF, Epstein LF, Gallant P, Hodous BL, Huang X, Lee JH, Patel VF, Schneider S, Turci SM, Zhu X. Bioorg Med Chem Lett. 18, 1172-1176 (2008) Link Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR. Dimauro EF, Newcomb J, Nunes JJ, Bemis JE, Boucher C, Buchanan JL, Buckner WH, Cheng A, Faust T, Hsieh F, Huang X, Lee JH, Marshall TL, Martin MW, McGowan DC, Schneider S, Turci SM, White RD, Zhu X. Bioorg Med Chem Lett. 17, 2305-2309 (2007) Link Structure of the catalytic domain of human polo-like kinase 1. Kothe M, Kohls D, Low S, Coli R, Cheng AC, Jacques SL, Johnson TL, Lewis C, Loh C, Nonomiya J, Sheils AL, Verdries KA, Wynn TA, Kuhn C, Ding YH. Biochemistry. 46, 5960-5971 (2007) Link Structure-based maximal affinity model predicts small-molecule druggability. Cheng AC, Coleman RG, Smyth KT, Cao Q, Soulard P, Caffrey DR, Salzberg AC, Huang ES. Nature Biotechnology. 25, 71-75 (2007) PDF Link
Structure-based identification of small molecule binding sites using a free energy model. Coleman RG, Salzberg AC, and Cheng AC. J Chem Inf Model. 46, 2631-2637 (2006) PDF Link Optimal charges in lead optimization: a structure-based neuraminidase case study. Armstrong KA, Tidor B, and Cheng AC. J Med Chem. 49, 2470-2477 (2006) PDF Link An intuitive approach to measuring protein surface curvature. Coleman RG, Burr MA, Souvaine DL, and Cheng AC. Proteins. 61, 1068-1074 (2005) PDF Link Transformations and algorithms for least sum of squares hypersphere fitting. Coleman RG, Burr MA, Souvaine DL, Cheng AC. Candadian Conf Comp Geom Proc.16, 104-107 (2004) PDF PS Ab-initio interaction energies of amino acid side-chain hydrogen bond interactions with nucleic acid bases. Cheng AC and Frankel AD. J Am Chem Soc. 126, 434-435 (2004) PDF Link Recognition of nucleic acid bases and base-pairs by hydrogen bonding to amino acid side-chains. Cheng AC, Chen WW, Fuhrmann CN, and Frankel AD. J Mol Biol. 327, 781-796 (2003) PDF Link
Structural diversity and isomorphism of hydrogen-bonded base interactions in nucleic acids. Walberer BJ, Cheng AC, and Frankel AD. J Mol Biol. 327, 767-780 (2003) PDF Link Design of RNA-binding proteins and ligands. Cheng AC, Calabro V, and Frankel AD. Curr Opin Struct Biol. 11, 478-484 (2001) PDF Link |