Macias AT - Search Results

1

Mitogen activated protein (MAP) kinases: development of ATP and non-ATP dependent inhibitors.

Hancock CN, Macias AT, Mackerell AD Jr, Shapiro P. Hancock CN, et al. Among authors: macias at. Med Chem. 2006 Mar;2(2):213-22. doi: 10.2174/157340606776056151. Med Chem. 2006. PMID: 16787369 Review.

2

Identification of novel extracellular signal-regulated kinase docking domain inhibitors.

Hancock CN, Macias A, Lee EK, Yu SY, Mackerell AD Jr, Shapiro P. Hancock CN, et al. J Med Chem. 2005 Jul 14;48(14):4586-95. doi: 10.1021/jm0501174. J Med Chem. 2005. PMID: 15999996

3

Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structure.

Chen F, Hancock CN, Macias AT, Joh J, Still K, Zhong S, MacKerell AD Jr, Shapiro P. Chen F, et al. Among authors: macias at. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6281-7. doi: 10.1016/j.bmcl.2006.09.038. Epub 2006 Sep 26. Bioorg Med Chem Lett. 2006. PMID: 17000106 Free PMC article.

4

Computational identification of inhibitors of protein-protein interactions.

Zhong S, Macias AT, MacKerell AD Jr. Zhong S, et al. Among authors: macias at. Curr Top Med Chem. 2007;7(1):63-82. doi: 10.2174/156802607779318334. Curr Top Med Chem. 2007. PMID: 17266596 Review.

5

3-chloropropanoic acid (UMB66): a ligand for the gamma-hydroxybutyric acid receptor lacking a 4-hydroxyl group.

Macias AT, Hernandez RJ, Mehta AK, MacKerell AD Jr, Ticku MK, Coop A. Macias AT, et al. Bioorg Med Chem. 2004 Apr 1;12(7):1643-7. doi: 10.1016/j.bmc.2004.01.025. Bioorg Med Chem. 2004. PMID: 15028257

6

CH/pi interactions involving aromatic amino acids: refinement of the CHARMM tryptophan force field.

Macias AT, Mackerell AD Jr. Macias AT, et al. J Comput Chem. 2005 Nov 15;26(14):1452-63. doi: 10.1002/jcc.20281. J Comput Chem. 2005. PMID: 16088926

7

Lead validation and SAR development via chemical similarity searching; application to compounds targeting the pY+3 site of the SH2 domain of p56lck.

Macias AT, Mia MY, Xia G, Hayashi J, MacKerell AD Jr. Macias AT, et al. J Chem Inf Model. 2005 Nov-Dec;45(6):1759-66. doi: 10.1021/ci050225z. J Chem Inf Model. 2005. PMID: 16309282

8

DNA bending induced by carbocyclic sugar analogs constrained to the north conformation.

Macias AT, Banavali NK, MacKerell AD Jr. Macias AT, et al. Biopolymers. 2007 Apr 5-15;85(5-6):438-49. doi: 10.1002/bip.20673. Biopolymers. 2007. PMID: 17211887 Free PMC article.

9

Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.

Brough PA, Baker L, Bedford S, Brown K, Chavda S, Chell V, D'Alessandro J, Davies NG, Davis B, Le Strat L, Macias AT, Maddox D, Mahon PC, Massey AJ, Matassova N, McKenna S, Meissner JW, Moore JD, Murray JB, Northfield CJ, Parry C, Parsons R, Roughley SD, Shaw T, Simmonite H, Stokes S, Surgenor A, Stefaniak E, Robertson A, Wang Y, Webb P, Whitehead N, Wood M. Brough PA, et al. Among authors: macias at. J Med Chem. 2017 Mar 23;60(6):2271-2286. doi: 10.1021/acs.jmedchem.6b01478. Epub 2017 Feb 15. J Med Chem. 2017. PMID: 28199108

10

Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.

Yamada Y, Takashima H, Walmsley DL, Ushiyama F, Matsuda Y, Kanazawa H, Yamaguchi-Sasaki T, Tanaka-Yamamoto N, Yamagishi J, Kurimoto-Tsuruta R, Ogata Y, Ohtake N, Angove H, Baker L, Harris R, Macias A, Robertson A, Surgenor A, Watanabe H, Nakano K, Mima M, Iwamoto K, Okada A, Takata I, Hitaka K, Tanaka A, Fujita K, Sugiyama H, Hubbard RE. Yamada Y, et al. J Med Chem. 2020 Dec 10;63(23):14805-14820. doi: 10.1021/acs.jmedchem.0c01215. Epub 2020 Nov 19. J Med Chem. 2020. PMID: 33210531

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