In silico polypharmacology: retrospective recognition vs. rational design

Autor Proschak, Ewgenij
Vydáno 2014

PocketPicker: analysis of ligand binding-sites with shape descriptors

Autor Weisel, Martin, Proschak, Ewgenij, Schneider, Gisbert
Vydáno 2007

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

Autor Keppner, Sarah, Proschak, Ewgenij, Schneider, Gisbert, Spänkuch, B
Vydáno 2010

Multi-Target Approaches in Metabolic Syndrome

Autor Lillich, Felix F., Imig, John D., Proschak, Ewgenij
Vydáno v Front Pharmacol (2021)

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

Autor Kalinowsky, Lena, Weber, Julia, Balasupramaniam, Shantheya, Baumann, Knut, Proschak, Ewgenij
Vydáno v ACS Omega (2018)

Heterodimer formation with retinoic acid receptor RXRα modulates coactivator recruitment by peroxisome proliferator-activated receptor PPARγ

Autor Kilu, Whitney, Merk, Daniel, Steinhilber, Dieter, Proschak, Ewgenij, Heering, Jan
Vydáno v J Biol Chem (2021)

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

Autor Hefke, Lena, Hiesinger, Kerstin, Zhu, W. Felix, Kramer, Jan S., Proschak, Ewgenij
Vydáno v ACS Med Chem Lett (2020)

Differential Therapeutic Effects of FXR Activation, sEH Inhibition, and Dual FXR/sEH Modulation in NASH in Diet-Induced Obese Mice

Autor Helmstädter, Moritz, Schmidt, Jurema, Kaiser, Astrid, Weizel, Lilia, Proschak, Ewgenij, Merk, Daniel
Vydáno v ACS Pharmacol Transl Sci (2021)

Development of Multitarget Agents Possessing Soluble Epoxide Hydrolase Inhibitory Activity

Autor Hiesinger, Kerstin, Wagner, Karen M., Hammock, Bruce D., Proschak, Ewgenij, Hwang, Sung Hee
Vydáno v Prostaglandins Other Lipid Mediat (2018)

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

Autor Hagenow, Jens, Hagenow, Stefanie, Grau, Kathrin, Khanfar, Mohammad, Hefke, Lena, Proschak, Ewgenij, Stark, Holger
Vydáno v Drug Des Devel Ther (2020)

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

Autor Heitel, Pascal, Gellrich, Leonie, Kalinowsky, Lena, Heering, Jan, Kaiser, Astrid, Ohrndorf, Julia, Proschak, Ewgenij, Merk, Daniel
Vydáno v ACS Med Chem Lett (2019)

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

Autor Heitel, Pascal, Gellrich, Leonie, Heering, Jan, Goebel, Tamara, Kahnt, Astrid, Proschak, Ewgenij, Schubert-Zsilavecz, Manfred, Merk, Daniel
Vydáno v Sci Rep (2018)

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

Autor Khan, Md Abdul Hye, Kolb, Lauren, Skibba, Melissa, Hartmann, Markus, Blöcher, René, Proschak, Ewgenij, Imig, John D.
Vydáno v Diabetologia (2018)

DOGS: Reaction-Driven de novo Design of Bioactive Compounds

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

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

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

Design of dual ligands using excessive pharmacophore query alignment

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

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

Autor Ni, Xiaomin, Schröder, Martin, Olieric, Vincent, Sharpe, May E., Hernandez-Olmos, Victor, Proschak, Ewgenij, Merk, Daniel, Knapp, Stefan, Chaikuad, Apirat
Vydáno v ACS Med Chem Lett (2021)

Systematic Assessment of Fragment Identification for Multitarget Drug Design

Autor Brunst, Steffen, Kramer, Jan S., Kilu, Whitney, Heering, Jan, Pollinger, Julius, Hiesinger, Kerstin, George, Sven, Steinhilber, Dieter, Merk, Daniel, Proschak, Ewgenij
Vydáno v ChemMedChem (2021)

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

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

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

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