Scaffold hopping approach towards various AFQ-056 analogs as potent metabotropic glutamate receptor 5 negative allosteric modulators

Autor: Ulrich Abel, Patrick Plitt, Kai-Uwe Klein, Mirko Hechenberger, Udo Meyer, Sander G. A. van Assema, Holger Kubas, Harm W. Spexgoor, Ronalds Zemribo

Publikováno v: Bioorganic & Medicinal Chemistry Letters. 23:6370-6376

The metabotropic glutamate receptor subtype 5 has evolved into a promising target for the treatment of various diseases of the central nervous system, such as Fragile X and l -DOPA induced dyskinesia. One of the most advanced clinical compound is Nov

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7e6397fe4ac3e1a75ee548e5012845b5
https://doi.org/10.1016/j.bmcl.2013.09.059

Suche nach Wirkstoff-Grundgerüsten mit 3D-Pharmakophorhypothesen und Ensembles neuronaler Netze

Autor: Michael Schmuker, Claudia Jatzke, Tanja Weil, Tobias Noeske, Chris G. Parsons, Alexander Böcker, Mirko Hechenberger, Gisbert Schneider, Steffen Renner

Publikováno v: Angewandte Chemie. 119:5432-5435

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::92a5e2c9388545099835cb6ac58cd847
https://doi.org/10.1002/ange.200604125

Discovery, synthesis, and structure-activity relationships of 2-aminoquinazoline derivatives as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators

Autor: Holger Kubas, Ilya Pyatkin, Maksims Vanejevs, Ulrich Abel, Udo Meyer, Mirko Hechenberger, Valerjans Kauss, Raisa Ambartsumova, Alexey I. Polosukhin, Bjoern Krueger, Ronalds Zemribo

Publikováno v: Bioorganicmedicinal chemistry letters. 23(16)

A virtual screening approach using various in silico methodologies led to the discovery of 2-(m-tolylamino)-7,8-dihydroquinazolin-5(6H)-one (1) as a moderately active negative allosteric modulator (NAM) of the metabotropic glutamate receptor subtype

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4568815830ffcb642bbde0d72aa43186
https://pubmed.ncbi.nlm.nih.gov/23856046

MPSA short communications

Autor: Eugene M. Barnes, Patricia A. Calkin, Satoshi Kuroda, Shigemi Norioka, Masanori Mitta, Ikunoshin Kato, Fumio Sakiyama, Heinz Nika, David T. Chow, Daniel Hess, Edward J. Bures, Hamish D. Morrison, Ruedi Aebersold, G. Marius Clore, Angela M. Gronenborn, Bengt Persson, Patrick Argos, Peter James, Andrew C. Cannons, Larry P. Solomonson, Kenneth E. Dombrowski, William E. Moddeman, Stephen E. Wright, Winona C. Barker, David G. George, Subhendra N. Mattagajasingh, Hara P. Misra, Shuan Shian Huang, Jung San Huang, Y. C. Lee, Wolfgang H. Fischer, A. Grey Craig, Philip N. McFadden, Jonathan A. Lind-quist, M. Bartlet-Jones, W. Jeffery, H. F. Hansen, D. J. C. Pappin, Tomas Bergman, Lars Hjelmqvist, Mats Estonius, Hans Jörnvall, Donna S. Dorow, H. Tschesche, V. Knäuper, T. Kleine, P. Reinemer, S. Schnierer, F. Grams, W. Bode, Christopher Southan, Kenneth Fantom, Patric Lavery, J. B. C. Findlay, D. Akrigg, T. K. Attwood, M. J. Beck, A. J. Bleasby, A. C. T. North, D. J. Parry-Smith, D. N. Perkins, A. Aitken, Y. Patel, H. Martin, D. Jones, K. Robinson, J. Madrazo, S. Howell, Tom Yungwirth, Michael Affolter, Lawrence Amankwa, Harold A. Scheraga, Chao -Yuh Yang, Natalia V. Valentinova, Manlan Yang, Zi -Wei Gu, Antonio M. Gotto, Norman J. Dovichi, Karen C. Waldron, Min Chen, Ian Ireland, Akira Omori, Sachiyo Yoshida, Johann Schaller, Stephan Lengweiler, Egon E. Rickli, José Bubis, Julio O. Ortiz, Carolina Möller, Enrique J. Millán, Victoria L. Boyd, MeriLisa Bozzini, Jindong Zhao, Robert J. DeFranco, Pau -Miau Yuan, G. Marc Loudon, Duy Nguyen, Masaharu Kamo, Takao Kawakami, Norifumi Miyatake, Akira Tsugita, Keiji Takamoto, Kazuo Satake, Oliver Bischof, Mirko Hechenberger, Bernd Thiede, Volker Kruft, Brigitte Wittmann-Liebold, Albrecht Otto, Rainer Benndorf, Peter Jungblut, Monika Ühlein, Henning Urlaub, Rita Berhardt, Regine Kraft, Heike Uhlmann, Vita Beckert, Toshifumi Akizawa, Takaaki Ayabe, Motomi Matsukawa, Michiyasu Itoh, Masatoshi Nishi, Hiroshi Sato, Motoharu Seiki, Masanori Yoshioka, Michal Lebl, Viktor Krchňák, Nikolai F. Sepetov, Petr Kočiš, Marcel Pátek, Zuzana Flegelová, Ronald Ferguson, Kit S. Lam, Robert L. Moritz, James Eddes, Hong Ji, Gavin E. Reid, Richard J. Simpson, William Seffens, C. Dale Poulter, Julia M. Dolence, Pamela D. Bond, Kiyoshi Nokihara, Kazuo Ikegaya, Naoki Morita, Takao Ohmura, S. I. Salikhov, N. J. Sagdiev, A. S. Korneev, Behzod Z. Dolimbek, M. Zhouhair Atassi, J. S. Rosenberg, Z. Yun, P. R. Wyde, M. Z. Atassi, Simon J. Gaskell, Kalyan Rao Anumula, David P. Goldenberg, Ettore Appella, Michelle Fiscella, Nicola Zambrano, Stephen J. Ullrich, Kazuyasu Sakaguchi, Hiroshi Sakamoto, Marc S. Lewis, David Lin, W. Edward Mercer, Carl W. Anderson, Marjorie A. Connelly, Hong Zhang, John D. Sipley, Susan P. Lees-Miller, Stephen P. Jackson, Yong-hong Xie, Jun A. Quion, Chao-yuh Yang, W. F. Brandt, H. Alk, R. Bhaskaran, Chin Yu, C. C. Yang, Agnes H. Henschen, Keith Ashman, Matthias Mann, Juan Guevara, Hung Michael Nguyen, Daniel B. Davison, Joel D. Morrisett, Richard N. Perham, Donald A. Marvin, Martyn F. Symmons, Tamsin D. Terry, Z. H. Beg, J. A. Stonik, J. M. Hoeg, H. B. Brewer, Boris M. Gorovits, C. S. Raman, Paul M. Horowtiz

Publikováno v: Journal of Protein Chemistry. 13:431-512

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5ef34d6537f2c82a8b9b3644d6d48729
https://doi.org/10.1007/bf01898855

Searching for drug scaffolds with 3D pharmacophores and neural network ensembles

Autor: Tobias Noeske, Alexander Böcker, Tanja Weil, Steffen Renner, Claudia Jatzke, Mirko Hechenberger, Gisbert Schneider, Michael Schmuker, Chris G. Parsons

Publikováno v: Angewandte Chemie (International ed. in English). 46(28)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a787d7fa0c24e0bb39bcbf16ecc91cdd
https://pubmed.ncbi.nlm.nih.gov/17604383