Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Frank M. DiCapua"'
Autor:
Zhaoming Xiong, Stephen J. Boyer, Lida Soleymanzadeh, Stanley Kugler, John Westbrook, Yunlong Zhang, Anil Kumar Padyana, Jennifer Burke, Jeffrey B. Madwed, Derek Cogan, Alan David Swinamer, Chris Sarko, Mohammed A. Kashem, Frank M. DiCapua, Kirrane Thomas M, Amy Gao, Roger J. Snow, Xin Guo, Margaret M. O’Neill
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 22:733-737
A series of inhibitors for the 90 kDa ribosomal S6 kinase (RSK) based on an 1-oxo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indole-8-carboxamide scaffold were identified through high throughput screening. An RSK crystal structure and exploratory SAR
Autor:
Akalushi Muthukumarana, Frank M. DiCapua, Stanley Kugler, Fariba Soleymanzadeh, Glenn A. Reinhart, Rong Rhonda Chen, Margaret M. O’Neill, Jennifer Burke, Ryan M. Fryer, Roger J. Snow, Suzanne Nodop Mazurek, Jeffrey B. Madwed, Kirrane Thomas M, Roger M. Dinallo, Paul C. Harrison, Mohammed A. Kashem, Stephen J. Boyer, James D. Smith, Yunlong Zhang, Kyle E. Harrington, Xin Guo
Publikováno v:
The Journal of pharmacology and experimental therapeutics. 340(3)
We previously reported the discovery of a novel ribosomal S6 kinase 2 (RSK2) inhibitor, (R)-5-Methyl-1-oxo-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a] indole-8-carboxylic acid [1-(3-dimethylamino-propyl)-1H-benzoimidazol-2-yl]-amide (BIX 02565), with
Autor:
Alan Robertson, Hay Bruce Allan, Todd W. Siegel, Dennis J. Pelletier, Murray Marianne C, Rona A. Nardone, Frank M. DiCapua, Bridget Mccarthy Cole, Glen W. Kirk, Anthony P. Ricketts
Publikováno v:
ChemInform. 33
The first potent small molecule sst2 antagonists are reported. Altering known sst2 agonist molecules yielded compounds with high sst2 binding affinity and full antagonist activity. Compound 7a, for example, displaced somatostatin binding to the sst2
Publikováno v:
Journal of the American Chemical Society. 113:5211-5215
Publikováno v:
Journal of the American Chemical Society. 113:6145-6155
In protein crystal structures, ordered water molecules have been frequently observed at instances where a-helices bend or fold. A series of molecular dynamics (MD) simulations have been carried out in order to investigate the possibility that a water
Autor:
Jane M. Withka, Christopher S. Jones, Michael John Munchhof, Yuriy A. Abramov, Rescek Diane Marie, Sandra P. McCurdy, Lawrence A. Reiter, Frank M. DiCapua, Jon Bordner, William H. Brissette, Ivan J. Samardjiev
Publikováno v:
Bioorganicmedicinal chemistry letters. 18(9)
The identification of small molecule modulators of biological processes mediated via protein–protein interactions has generally proved to be a challenging endeavor. In the case of the thrombopoietin receptor (TPOr), however, a number of small molec
Publikováno v:
Journal of the American Chemical Society. 112:6768-6771
A molecular dynamics (MD) simulation was performed on the hydrated decapeptide Ala 10 .550H 2 O under periodic boundary conditions. The initial configuration of the peptide was a canonical right-handed α-helix. Over the course of the MD trajectory,
Autor:
R. Scott Obach, Jing Lu, Feng Gao, Frank M. DiCapua, Michael D. Miller, Yao Zhang, Gregory A. Bakken, David M. Potter, Franco Lombardo
Publikováno v:
Journal of medicinal chemistry. 49(7)
A computational approach is described that can predict the VD(ss) of new compounds in humans, with an accuracy of within 2-fold of the actual value. A dataset of VD values for 384 drugs in humans was used to train a hybrid mixture discriminant analys
Autor:
Bridget Mccarthy Cole, Rona A. Nardone, Anthony P. Ricketts, Dennis J. Pelletier, Murray Marianne C, Hay Bruce Allan, Frank M. DiCapua, Alan Robertson, Glen W. Kirk, Todd W. Siegel
Publikováno v:
Bioorganicmedicinal chemistry letters. 11(20)
The first potent small molecule sst2 antagonists are reported. Altering known sst2 agonist molecules yielded compounds with high sst2 binding affinity and full antagonist activity. Compound 7a, for example, displaced somatostatin binding to the sst2
Autor:
E. D. Salter, E. R. Pettipher, T. A. Hibbs, Frank M. DiCapua, Jon Bordner, Kleinman Edward F, Cohan Victoria L, T. H. Jenkinson, E. Campbell, J.T. Shirley, Giordano La, John B. Cheng
Publikováno v:
Journal of medicinal chemistry. 41(3)