Zobrazeno 1 - 10
of 19
pro vyhledávání: '"David I, Lieberman"'
Autor:
Zhiwei, Wen, Veronica, Salmaso, Young-Hwan, Jung, Ngan B, Phung, Varun, Gopinatth, Qasim, Shah, Alexandra T, Patterson, John C R, Randle, Zhoumou, Chen, Daniela, Salvemini, David I, Lieberman, Gregory S, Whitehead, Tadeusz P, Karcz, Donald N, Cook, Kenneth A, Jacobson
Publikováno v:
J Med Chem
High affinity phenyl-piperidine P2Y(14)R antagonist 1 (PPTN) was modified with piperidine bridging moieties to probe receptor affinity and hydrophobicity. Various 2-azanorbornane, nortropane, isonortropane, isoquinuclidine, and ring-opened cyclopenty
Autor:
Kenneth A. Jacobson, Donald N. Cook, Tadeusz P Karcz, John C R Randle, John M. Bennett, Varun Gopinatth, Zhiwei Wen, Ngan B. Phung, Daniela Salvemini, Young-Hwan Jung, David I. Lieberman, Veronica Salmaso, Zhoumou Chen
Publikováno v:
Journal of Medicinal Chemistry. 64:5099-5122
A known zwitterionic, heterocyclic P2Y14R antagonist 3a was substituted with diverse groups on the central phenyl and terminal piperidine moieties, following a computational selection process. The most potent analogues contained an uncharged piperidi
Autor:
Zhiwei Wen, Veronica Salmaso, Young-Hwan Jung, Ngan B. Phung, Varun Gopinatth, Qasim Shah, Alexandra T. Patterson, John C. R. Randle, Zhoumou Chen, Daniela Salvemini, David I. Lieberman, Gregory S. Whitehead, Tadeusz P. Karcz, Donald N. Cook, Kenneth A. Jacobson
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::08a16138dcf66e0cf8b0d97c43fac4e0
http://hdl.handle.net/11577/3459804
http://hdl.handle.net/11577/3459804
Autor:
Young-Hwan, Jung, Veronica, Salmaso, Zhiwei, Wen, John M, Bennett, Ngan B, Phung, David I, Lieberman, Varun, Gopinatth, John C R, Randle, Zhoumou, Chen, Daniela, Salvemini, Tadeusz P, Karcz, Donald N, Cook, Kenneth A, Jacobson
Publikováno v:
J Med Chem
A known zwitterionic, heterocyclic P2Y(14)R antagonist 3a was substituted with diverse groups on the central phenyl and terminal piperidine moieties, following a computational selection process. The most potent analogues contained an uncharged piperi
Autor:
Amy C. Rothwell, Zhan-Guo Gao, Julie A. Mattison, Philip Z. Mannes, Zhenzhong Cui, Harsha Rao, Marc L. Reitman, Oksana Gavrilova, Antonella Ciancetta, Amelia Bitant, Kelli L. Vaughan, Veronica Salmaso, Kenneth A. Jacobson, Dilip K. Tosh, John A. Auchampach, David I. Lieberman, Naili Liu
Publikováno v:
Journal of Medicinal Chemistry. 62:1502-1522
(N)-Methanocarba ([3.1.0]bicyclohexyl) adenosines and corresponding ribosides were synthesized to identify novel A1 adenosine receptor (A1AR) agonists for CNS or peripheral applications. Human and mouse AR binding was determined to assess the constra
Autor:
Dilip K, Tosh, Veronica, Salmaso, Harsha, Rao, Amelia, Bitant, Courtney L, Fisher, David I, Lieberman, Helmut, Vorbrüggen, Marc L, Reitman, Oksana, Gavrilova, Zhan-Guo, Gao, John A, Auchampach, Kenneth A, Jacobson
Publikováno v:
J Med Chem
Dopamine-derived N(6)-substituents, compared to N(6)-(2-phenylethyl), in truncated (N)-methanocarba (bicyclo[3.1.0]hexyl) adenosines favored high A(3) adenosine receptor (AR) affinity/selectivity, e.g. C2-phenylethynyl analogue 15 (MRS7591, K(i) 10.9
Autor:
Harsha Rao, Helmut Vorbrüggen, Dilip K. Tosh, Oksana Gavrilova, David I. Lieberman, Amelia Bitant, Courtney L. Fisher, Marc L. Reitman, Kenneth A. Jacobson, Veronica Salmaso, John A. Auchampach, Zhan-Guo Gao
Dopamine-derived N6-substituents, compared to N6-(2-phenylethyl), in truncated (N)-methanocarba (bicyclo[3.1.0]hexyl) adenosines favored high A3 adenosine receptor (AR) affinity/selectivity, e.g., ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::116156072626387e8dbb0b85c501011b
http://hdl.handle.net/11577/3459811
http://hdl.handle.net/11577/3459811
Publikováno v:
J Comput Aided Mol Des
We investigated the Gi-coupled A(3) adenosine receptor (A(3)AR) activation mechanism by running 7.2 μs of molecular dynamics (MD) simulations. Based on homology to G protein-coupled receptor (GPCR) structures, three constitutively active mutant (CAM
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::597b7eb7771228f28253095d893f09d6
https://europepmc.org/articles/PMC7001149/
https://europepmc.org/articles/PMC7001149/
Autor:
Kenneth A. Jacobson, John A. Auchampach, Jinha Yu, Young-Hwan Jung, Amelia Bitant, Antonella Ciancetta, Zhan-Guo Gao, Philip Z. Mannes, Sami S. Khaznadar, David I. Lieberman
Publikováno v:
MedChemComm. 9:1920-1932
Recognition of nucleosides at adenosine receptors (ARs) is supported by multiple X-ray structures, but the structure of an adenine complex is unknown. We examined the selectivity of predicted A(1)AR and A(3)AR adenine antagonists that incorporated kn
Autor:
Dilip K, Tosh, Harsha, Rao, Amelia, Bitant, Veronica, Salmaso, Philip, Mannes, David I, Lieberman, Kelli L, Vaughan, Julie A, Mattison, Amy C, Rothwell, John A, Auchampach, Antonella, Ciancetta, Naili, Liu, Zhenzhong, Cui, Zhan-Guo, Gao, Marc L, Reitman, Oksana, Gavrilova, Kenneth A, Jacobson
Publikováno v:
Journal of medicinal chemistry. 62(3)
(N)-Methanocarba ([3.1.0]bicyclohexyl) adenosines and corresponding ribosides were synthesized to identify novel A(1) adenosine receptor (A(1)AR) agonists for CNS or peripheral applications. Human and mouse AR binding was determined to assess the con