Identification and characterization of alternative sites and molecular probes for SARS-CoV-2 target proteins

Autor: Suhasini M. Iyengar, Kelly K. Barnsley, Hoang Yen Vu, Ian Jef A. Bongalonta, Alyssa S. Herrod, Jasmine A. Scott, Mary Jo Ondrechen

Publikováno v: Frontiers in Chemistry, Vol 10 (2022)

Three protein targets from SARS-CoV-2, the viral pathogen that causes COVID-19, are studied: the main protease, the 2′-O-RNA methyltransferase, and the nucleocapsid (N) protein. For the main protease, the nucleophilicity of the catalytic cysteine C

Externí odkaz: https://doaj.org/article/c18e19af907a4599b50246390d08c0cd

Probing remote residues important for catalysis in Escherichia coli ornithine transcarbamoylase.

Autor: Lisa Ngu, Jenifer N Winters, Kien Nguyen, Kevin E Ramos, Nicholas A DeLateur, Lee Makowski, Paul C Whitford, Mary Jo Ondrechen, Penny J Beuning

Publikováno v: PLoS ONE, Vol 15, Iss 2, p e0228487 (2020)

Understanding how enzymes achieve their tremendous catalytic power is a major question in biochemistry. Greater understanding is also needed for enzyme engineering applications. In many cases, enzyme efficiency and specificity depend on residues not

Externí odkaz: https://doaj.org/article/e83aee1f53994b1289c97286400f2b8a

Design, Synthesis, and Characterization of [

Autor: Gengyang, Yuan, Maeva, Dhaynaut, Nicolas J, Guehl, Sepideh, Afshar, Dalena, Huynh, Sung-Hyun, Moon, Suhasini M, Iyengar, Manish Kumar, Jain, Julie E, Pickett, Hye Jin, Kang, Mary Jo, Ondrechen, Georges, El Fakhri, Marc D, Normandin, Anna-Liisa, Brownell

Publikováno v: Journal of medicinal chemistry. 65(14)

An array of triazolopyridines based on JNJ-46356479 (

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::0ecf86dcfbee8ecb3de446d4a3dfa7f3
https://pubmed.ncbi.nlm.nih.gov/35802702

A community effort to discover small molecule SARS-CoV-2 inhibitors

Autor: Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le, Frank Noé, Simon Olsson, Lluís Raich, Robin Winter, Hatice Gokcan, Filipp Gusev, Evgeny M. Gutkin, Olexandr Isayev, Maria G. Kurnikova, Chamali H. Narangoda, Roman Zubatyuk, Ivan P. Bosko, Konstantin V. Furs, Anna D. Karpenko, Yury V. Kornoushenko, Mikita Shuldau, Artsemi Yushkevich, Mohammed B. Benabderrahmane, Patrick Bousquet-Melou, Ronan Bureau, Beatrice Charton, Bertrand C. Cirou, Gérard Gil, William J. Allen, Suman Sirimulla, Stanley Watowich, Nick A. Antonopoulos, Nikolaos E. Epitropakis, Agamemnon K. Krasoulis, Vassilis P. Pitsikalis, Stavros T. Theodorakis, Igor Kozlovskii, Anton Maliutin, Alexander Medvedev, Petr Popov, Mark Zaretckii, Hamid Eghbal-zadeh, Christina Halmich, Sepp Hochreiter, Andreas Mayr, Peter Ruch, Michael Widrich, Francois Berenger, Ashutosh Kumar, Yoshihiro Yamanishi, Kam Y.J. Zhang, Emmanuel Bengio, Yoshua Bengio, Moksh J. Jain, Maksym Korablyov, Cheng-Hao Liu, Gilles Marcou, Enrico Glaab, Kelly Barnsley, Suhasini M. Iyengar, Mary Jo Ondrechen, V. Joachim Haupt, Florian Kaiser, Michael Schroeder, Luisa Pugliese, Simone Albani, Christina Athanasiou, Andrea Beccari, Paolo Carloni, Giulia D'Arrigo, Eleonora Gianquinto, Jonas Goßen, Anton Hanke, Benjamin P. Joseph, Daria B. Kokh, Sandra Kovachka, Candida Manelfi, Goutam Mukherjee, Abraham Muñiz-Chicharro, Francesco Musiani, Ariane Nunes-Alves, Giulia Paiardi, Giulia Rossetti, S. Kashif Sadiq, Francesca Spyrakis, Carmine Talarico, Alexandros Tsengenes, Rebecca C. Wade, Conner Copeland, Jeremiah Gaiser, Daniel R. Olson, Amitava Roy, Vishwesh Venkatraman, Travis J. Wheeler, Haribabu Arthanari, Klara Blaschitz, Marco Cespugli, Vedat Durmaz, Konstantin Fackeldey, Patrick D. Fischer, Christoph Gorgulla, Christian Gruber, Karl Gruber, Michael Hetmann, Jamie E. Kinney, Krishna M. Padmanabha Das, Shreya Pandita, Amit Singh, Georg Steinkellner, Guilhem Tesseyre, Gerhard Wagner, Zi-Fu Wang, Ryan J. Yust, Dmitry S. Druzhilovskiy, Dmitry A. Filimonov, Pavel V. Pogodin, Vladimir Poroikov, Anastassia V. Rudik, Leonid A. Stolbov, Alexander V. Veselovsky, Maria De Rosa, Giada De Simone, Maria R. Gulotta, Jessica Lombino, Nedra Mekni, Ugo Perricone, Arturo Casini, Amanda Embree, D. Benjamin Gordon, David Lei, Katelin Pratt, Christopher A. Voigt, Kuang-Yu Chen, Yves Jacob, Tim Krischuns, Pierre Lafaye, Agnès Zettor, M. Luis Rodríguez, Kris M. White, Daren Fearon, Frank Von Delft, Martin A. Walsh, Dragos Horvath, Charles L. Brooks III, Babak Falsafi, Bryan Ford, Adolfo García-Sastre, Sang Yup Lee, Nadia Naffakh, Alexandre Varnek, Günter Klambauer, Thomas M. Hermans

The COVID-19 pandemic continues to pose a substantial threat to human lives and is likely to do so for years to come. Despite the availability of vaccines, searching for efficient small-molecule drugs that are widely available, including in low- and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::28010b1a0350f378ef0dcc633e87f6e1
https://doi.org/10.26434/chemrxiv-2023-1d5w8

Synthesis and Characterization of 5-(2-Fluoro-4-[

Autor: Gengyang, Yuan, Maeva, Dhaynaut, Yu, Lan, Nicolas J, Guehl, Dalena, Huynh, Suhasini M, Iyengar, Sepideh, Afshar, Manish Kumar, Jain, Julie E, Pickett, Hye Jin, Kang, Hao, Wang, Sung-Hyun, Moon, Mary Jo, Ondrechen, Changning, Wang, Timothy M, Shoup, Georges, El Fakhri, Marc D, Normandin, Anna-Liisa, Brownell

Publikováno v: J Med Chem

Metabotropic glutamate receptor 2 (mGluR2) is a therapeutic target for several neuropsychiatric disorders. An mGluR2 function in etiology could be unveiled by positron emission tomography (PET). In this regard, 5-(2-fluoro-4-[(11)C]methoxyphenyl)-2,2

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::704c966f7f2686c685beaf9baccb53b1
https://pubmed.ncbi.nlm.nih.gov/35089713