Abagyan R - Search Results

1

Modeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.

Bisson WH, Koch DC, O'Donnell EF, Khalil SM, Kerkvliet NI, Tanguay RL, Abagyan R, Kolluri SK. Bisson WH, et al. Among authors: abagyan r. J Med Chem. 2009 Sep 24;52(18):5635-41. doi: 10.1021/jm900199u. J Med Chem. 2009. PMID: 19719119 Free PMC article.

2

Determinants of retinoid X receptor transcriptional antagonism.

Cavasotto CN, Liu G, James SY, Hobbs PD, Peterson VJ, Bhattacharya AA, Kolluri SK, Zhang XK, Leid M, Abagyan R, Liddington RC, Dawson MI. Cavasotto CN, et al. Among authors: abagyan r. J Med Chem. 2004 Aug 26;47(18):4360-72. doi: 10.1021/jm030651g. J Med Chem. 2004. PMID: 15317450

3

Molecular basis of agonicity and antagonicity in the androgen receptor studied by molecular dynamics simulations.

Bisson WH, Abagyan R, Cavasotto CN. Bisson WH, et al. Among authors: abagyan r. J Mol Graph Model. 2008 Nov;27(4):452-8. doi: 10.1016/j.jmgm.2008.08.001. Epub 2008 Aug 9. J Mol Graph Model. 2008. PMID: 18805032

4

Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs.

Bisson WH, Cheltsov AV, Bruey-Sedano N, Lin B, Chen J, Goldberger N, May LT, Christopoulos A, Dalton JT, Sexton PM, Zhang XK, Abagyan R. Bisson WH, et al. Among authors: abagyan r. Proc Natl Acad Sci U S A. 2007 Jul 17;104(29):11927-32. doi: 10.1073/pnas.0609752104. Epub 2007 Jul 2. Proc Natl Acad Sci U S A. 2007. PMID: 17606915 Free PMC article.

5

Molecular mechanism of serotonin transporter inhibition elucidated by a new flexible docking protocol.

Gabrielsen M, Kurczab R, Ravna AW, Kufareva I, Abagyan R, Chilmonczyk Z, Bojarski AJ, Sylte I. Gabrielsen M, et al. Among authors: abagyan r. Eur J Med Chem. 2012 Jan;47(1):24-37. doi: 10.1016/j.ejmech.2011.09.056. Epub 2011 Oct 20. Eur J Med Chem. 2012. PMID: 22071255 Free PMC article.

6

Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening.

Cavasotto CN, Orry AJ, Murgolo NJ, Czarniecki MF, Kocsi SA, Hawes BE, O'Neill KA, Hine H, Burton MS, Voigt JH, Abagyan RA, Bayne ML, Monsma FJ Jr. Cavasotto CN, et al. J Med Chem. 2008 Feb 14;51(3):581-8. doi: 10.1021/jm070759m. Epub 2008 Jan 17. J Med Chem. 2008. PMID: 18198821

7

Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies.

Sager G, Ørvoll EØ, Lysaa RA, Kufareva I, Abagyan R, Ravna AW. Sager G, et al. Among authors: abagyan r. J Med Chem. 2012 Apr 12;55(7):3049-57. doi: 10.1021/jm2014666. Epub 2012 Mar 20. J Med Chem. 2012. PMID: 22380603 Free PMC article.

8

Nuclear hormone receptor targeted virtual screening.

Schapira M, Abagyan R, Totrov M. Schapira M, et al. Among authors: abagyan r. J Med Chem. 2003 Jul 3;46(14):3045-59. doi: 10.1021/jm0300173. J Med Chem. 2003. PMID: 12825943

9

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

Katritch V, Jaakola VP, Lane JR, Lin J, Ijzerman AP, Yeager M, Kufareva I, Stevens RC, Abagyan R. Katritch V, et al. Among authors: abagyan r. J Med Chem. 2010 Feb 25;53(4):1799-809. doi: 10.1021/jm901647p. J Med Chem. 2010. PMID: 20095623 Free PMC article.

10

Self-assembling cannabinomimetics: supramolecular structures of N-alkyl amides.

Raduner S, Bisson W, Abagyan R, Altmann KH, Gertsch J. Raduner S, et al. Among authors: abagyan r. J Nat Prod. 2007 Jun;70(6):1010-5. doi: 10.1021/np060598+. Epub 2007 May 11. J Nat Prod. 2007. PMID: 17497806

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