Zobrazeno 1 - 10
of 347
pro vyhledávání: '"Bernd Engels"'
Autor:
Collin Zimmer, Jan Brauer, Dorota Ferenc, Jessica Meyr, Patrick Müller, Hans-Joachim Räder, Bernd Engels, Till Opatz, Tanja Schirmeister
Publikováno v:
Molecules, Vol 29, Iss 11, p 2660 (2024)
The aim of this study was to investigate the transition from non-covalent reversible over covalent reversible to covalent irreversible inhibition of cysteine proteases by making delicate structural changes to the warhead scaffold. To this end, dipept
Externí odkaz:
https://doaj.org/article/60ad1902ed054cbca788414b67730366
Autor:
Patrick Müller, Mergim Meta, Jan Laurenz Meidner, Marvin Schwickert, Jessica Meyr, Kevin Schwickert, Christian Kersten, Collin Zimmer, Stefan Josef Hammerschmidt, Ariane Frey, Albin Lahu, Sergio de la Hoz-Rodríguez, Laura Agost-Beltrán, Santiago Rodríguez, Kira Diemer, Wilhelm Neumann, Florenci V. Gonzàlez, Bernd Engels, Tanja Schirmeister
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 8, p 7226 (2023)
Covalent peptidomimetic protease inhibitors have gained a lot of attention in drug development in recent years. They are designed to covalently bind the catalytically active amino acids through electrophilic groups called warheads. Covalent inhibitio
Externí odkaz:
https://doaj.org/article/ff4da91785ec460c9d3be381dd2c4081
Autor:
Fabian Barthels, Jessica Meyr, Stefan J. Hammerschmidt, Tessa Marciniak, Hans-Joachim Räder, Wilma Ziebuhr, Bernd Engels, Tanja Schirmeister
Publikováno v:
Frontiers in Molecular Biosciences, Vol 8 (2022)
Staphylococcus aureus is one of the most frequent causes of nosocomial and community-acquired infections, with emerging multiresistant isolates causing a significant burden to public health systems. We identified 2-sulfonylpyrimidines as a new class
Externí odkaz:
https://doaj.org/article/205856979c4443d6a482b2392856ebe8
Autor:
Julian Böhnke, Theresa Dellermann, Mehmet Ali Celik, Ivo Krummenacher, Rian D. Dewhurst, Serhiy Demeshko, William C. Ewing, Kai Hammond, Merlin Heß, Eckhard Bill, Eileen Welz, Merle I. S. Röhr, Roland Mitrić, Bernd Engels, Franc Meyer, Holger Braunschweig
Publikováno v:
Nature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
Attempts to bend and twist multiple bonds in order to alter their reactivities have thus far been met with only modest success. Here, Braunschweig and colleagues isolate double-bond-containing boron-based species and their 90°-twisted diradical anal
Externí odkaz:
https://doaj.org/article/58a8fc7cef4c4b33ac6d1678b54a97f7
Autor:
Edgar Sawatzky, Antonios Drakopoulos, Martin Rölz, Christoph Sotriffer, Bernd Engels, Michael Decker
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 12, Iss 1, Pp 2280-2292 (2016)
Background: Cyclic aminals are core features of natural products, drug molecules and important synthetic intermediates. Despite their relevance, systematic investigations into their stability towards hydrolysis depending on the pH value are lacking.R
Externí odkaz:
https://doaj.org/article/1a6c50c5045143da862cda48b4dfe3cd
Autor:
Philipp Klein, Fabian Barthels, Patrick Johe, Annika Wagner, Stefan Tenzer, Ute Distler, Thien Anh Le, Paul Schmid, Volker Engel, Bernd Engels, Ute A. Hellmich, Till Opatz, Tanja Schirmeister
Publikováno v:
Molecules, Vol 25, Iss 9, p 2064 (2020)
The facile synthesis and detailed investigation of a class of highly potent protease inhibitors based on 1,4-naphthoquinones with a dipeptidic recognition motif (HN-l-Phe-l-Leu-OR) in the 2-position and an electron-withdrawing group (EWG) in the 3-po
Externí odkaz:
https://doaj.org/article/fcfcd916a0a04d3e9c43cc582951c65f
Autor:
Philipp Klein, Patrick Johe, Annika Wagner, Sascha Jung, Jonas Kühlborn, Fabian Barthels, Stefan Tenzer, Ute Distler, Waldemar Waigel, Bernd Engels, Ute A. Hellmich, Till Opatz, Tanja Schirmeister
Publikováno v:
Molecules, Vol 25, Iss 6, p 1451 (2020)
Electrophilic (het)arenes can undergo reactions with nucleophiles yielding π- or Meisenheimer (σ-) complexes or the products of the SNAr addition/elimination reactions. Such building blocks have only rarely been employed for the design of enzyme in
Externí odkaz:
https://doaj.org/article/6fe0d1e9c66f42edb149eca37b678e11
Autor:
Sven E. Prey, Christoph Herok, Felipe Fantuzzi, Michael Bolte, Hans-Wolfram Lerner, Bernd Engels, Matthias Wagner
Publikováno v:
Chemical Science. 14:849-860
Alkali-metal salts of a 9,10-diboraanthracene dianion catalyze the hydroboration of CC-, CN-, and CO-containing compounds with pinacolborane. The actual reaction mechanism is highly substrate-dependent.
Autor:
Jonas Weiser, Jingjing Cui, Rian D. Dewhurst, Holger Braunschweig, Bernd Engels, Felipe Fantuzzi
Publikováno v:
Journal of Computational Chemistry. 44:456-467
The development of ligands capable of effectively stabilizing highly reactive main‐group species has led to the experimental realization of a variety of systems with fascinating properties. In this work, we computationally investigate the electroni
Autor:
Luca Craciunescu, Sara Wirsing, Sebastian Hammer, Katharina Broch, Andreas Dreuw, Felipe Fantuzzi, Vipilan Sivanesan, Petra Tegeder, Bernd Engels
Publikováno v:
The Journal of Physical Chemistry Letters. 13:3726-3731
Theoretical studies using clusters as model systems have been extremely successful in explaining various photophysical phenomena in organic semiconductor (OSC) thin films. But they have not been able to satisfactorily simulate total and polarization-