In silico polypharmacology: retrospective recognition vs. rational design

Por Proschak, Ewgenij
Publicado em 2014

PocketPicker: analysis of ligand binding-sites with shape descriptors

Por Weisel, Martin, Proschak, Ewgenij, Schneider, Gisbert
Publicado em 2007

SBE13, a newly identified inhibitor of inactive polo-like kinase 1

Por Keppner, Sarah, Proschak, Ewgenij, Schneider, Gisbert, Spänkuch, B
Publicado em 2010

Multi-Target Approaches in Metabolic Syndrome

Por Lillich, Felix F., Imig, John D., Proschak, Ewgenij
Publicado no Front Pharmacol (2021)

A Diverse Benchmark Based on 3D Matched Molecular Pairs for Validating Scoring Functions

Por Kalinowsky, Lena, Weber, Julia, Balasupramaniam, Shantheya, Baumann, Knut, Proschak, Ewgenij
Publicado no ACS Omega (2018)

Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase

Por Hefke, Lena, Hiesinger, Kerstin, Zhu, W. Felix, Kramer, Jan S., Proschak, Ewgenij
Publicado no ACS Med Chem Lett (2020)

Development of Multitarget Agents Possessing Soluble Epoxide Hydrolase Inhibitory Activity

Por Hiesinger, Kerstin, Wagner, Karen M., Hammock, Bruce D., Proschak, Ewgenij, Hwang, Sung Hee
Publicado no Prostaglandins Other Lipid Mediat (2018)

Reversible Small Molecule Inhibitors of MAO A and MAO B with Anilide Motifs

Por Hagenow, Jens, Hagenow, Stefanie, Grau, Kathrin, Khanfar, Mohammad, Hefke, Lena, Proschak, Ewgenij, Stark, Holger
Publicado no Drug Des Devel Ther (2020)

Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype

Por Heitel, Pascal, Gellrich, Leonie, Kalinowsky, Lena, Heering, Jan, Kaiser, Astrid, Ohrndorf, Julia, Proschak, Ewgenij, Merk, Daniel
Publicado no ACS Med Chem Lett (2019)

Urate transporter inhibitor lesinurad is a selective peroxisome proliferator-activated receptor gamma modulator (sPPARγM) in vitro

Por Heitel, Pascal, Gellrich, Leonie, Heering, Jan, Goebel, Tamara, Kahnt, Astrid, Proschak, Ewgenij, Schubert-Zsilavecz, Manfred, Merk, Daniel
Publicado no Sci Rep (2018)

A novel dual PPAR-γ agonist/sEH inhibitor treats diabetic complications in a rat model of type 2 diabetes

Por Khan, Md Abdul Hye, Kolb, Lauren, Skibba, Melissa, Hartmann, Markus, Blöcher, René, Proschak, Ewgenij, Imig, John D.
Publicado no Diabetologia (2018)

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

Por Hartenfeller, Markus, Zettl, Heiko, Walter, Miriam, Rupp, Matthias, Reisen, Felix, Proschak, Ewgenij, Weggen, Sascha, Stark, Holger, Schneider, Gisbert
Publicado em 2012

Fragment-based identification of multi-target ligands by self-organizing map alignment

Por Achenbach, Janosch, Klingler, Franca-Maria, Hahn, Steffen, Steinbrink, Svenja, Schroeder, Mirjam, Loehr, Frank, Doetsch, Volker, Steinhilber, Dieter, Proschak, Ewgenij
Publicado em 2012

Design of dual ligands using excessive pharmacophore query alignment

Por Moser, Daniel, Wisniewska, Joanna, Hahn, Steffen, la Buscató, Estel, Klingler, Franca-Maria, Achenbach, Janosch, Hofmann, Bettina, Steinhilber, Dieter, Proschak, Ewgenij
Publicado em 2012

Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain

Por Ni, Xiaomin, Schröder, Martin, Olieric, Vincent, Sharpe, May E., Hernandez-Olmos, Victor, Proschak, Ewgenij, Merk, Daniel, Knapp, Stefan, Chaikuad, Apirat
Publicado no ACS Med Chem Lett (2021)

Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist

Por Rupp, Matthias, Schroeter, T, Steri, R, Proschak, Ewgenij, Hansen, K, Zettl, H, Rau, O, Schubert-Zsilavecz, M, Müller, K-R, Schneider, Gisbert
Publicado em 2010

Dual-Target Virtual Screening by Pharmacophore Elucidation and Molecular Shape Filtering

Por Moser, Daniel, Wisniewska, Joanna M., Hahn, Steffen, Achenbach, Janosch, Buscató, Estel·la, Klingler, Franca-Maria, Hofmann, Bettina, Steinhilber, Dieter, Proschak, Ewgenij
Publicado em 2012

Allosteric modulation of the farnesoid X receptor by a small molecule

Por Gabler, Matthias, Kramer, Jan, Schmidt, Jurema, Pollinger, Julius, Weber, Julia, Kaiser, Astrid, Löhr, Frank, Proschak, Ewgenij, Schubert-Zsilavecz, Manfred, Merk, Daniel
Publicado no Sci Rep (2018)

Design of Dual Inhibitors of Soluble Epoxide Hydrolase and LTA(4) Hydrolase

Por Hiesinger, Kerstin, Schott, Annika, Kramer, Jan S., Blöcher, René, Witt, Finja, Wittmann, Sandra K., Steinhilber, Dieter, Pogoryelov, Denys, Gerstmeier, Jana, Werz, Oliver, Proschak, Ewgenij
Publicado no ACS Med Chem Lett (2019)

Design, Synthesis and Cellular Characterization of a Dual Inhibitor of 5-Lipoxygenase and Soluble Epoxide Hydrolase

Por Meirer, Karin, Glatzel, Daniel, Kretschmer, Simon, Wittmann, Sandra K., Hartmann, Markus, Blöcher, René, Angioni, Carlo, Geisslinger, Gerd, Steinhilber, Dieter, Hofmann, Bettina, Fürst, Robert, Proschak, Ewgenij
Publicado no Molecules (2016)