Gerhard Wolber

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 48

Top Topics

Acute Myeloid Leukemia

Artificial Intelligence

Molecular Dynamics

Top Venues

Molecules (Basel, Switzerland)

Nature communications

Journal of medicinal chemistry

Molecular informatics

This page only lists publications with an associated author ORCID identifier.

Publications

Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Rana Azeem Ashraf, Sijie Liu, Clemens Alexander Wolf, Gerhard Wolber, Matthias Bureik
Identification of New Substrates and Inhibitors of Human CYP2A7. Molecules (Basel, Switzerland) 29 (10) (2024)
Kristina Puls, Aina-Leonor Olivé-Marti, Siriwat Hongnak, David Lamp, Mariana Spetea, Gerhard Wolber
Discovery of Novel, Selective, and Nonbasic Agonists for the Kappa-Opioid Receptor Determined by Salvinorin A-Based Virtual Screening. Journal of medicinal chemistry 67 (16) (2024)
Rana Azeem Ashraf, Sijie Liu, Clemens Alexander Wolf, Gerhard Wolber, Matthias Bureik
Identification of New Substrates and Inhibitors of Human CYP2A7. Molecules (Basel, Switzerland) 29 (10) (2024)
Kristina Puls, Aina-Leonor Olivé-Marti, Siriwat Hongnak, David Lamp, Mariana Spetea, Gerhard Wolber
Discovery of Novel, Selective, and Nonbasic Agonists for the Kappa-Opioid Receptor Determined by Salvinorin A-Based Virtual Screening. Journal of medicinal chemistry (2024)
Rana Azeem Ashraf, Sijie Liu, Clemens Alexander Wolf, Gerhard Wolber, Matthias Bureik
Identification of New Substrates and Inhibitors of Human CYP2A7. Molecules (Basel, Switzerland) 29 (10) (2024)
Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Author Correction: Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Kristina Puls, Aina-Leonor Olivé-Marti, Siriwat Hongnak, David Lamp, Mariana Spetea, Gerhard Wolber
Discovery of Novel, Selective, and Nonbasic Agonists for the Kappa-Opioid Receptor Determined by Salvinorin A-Based Virtual Screening. Journal of medicinal chemistry 67 (16) (2024)
Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Author Correction: Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Kristina Puls, Aina-Leonor Olivé-Marti, Siriwat Hongnak, David Lamp, Mariana Spetea, Gerhard Wolber
Discovery of Novel, Selective, and Nonbasic Agonists for the Kappa-Opioid Receptor Determined by Salvinorin A-Based Virtual Screening. Journal of medicinal chemistry 67 (16) (2024)
Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Umer Bin Abdul Aziz, Ali Saoud, Marcel Bermudez, Maren Mieth, Amira Atef, Thomas Rudolf, Christoph Arkona, Timo Trenkner, Christoph Böttcher, Kai Ludwig, Angelique Hoelzemer, Andreas C Hocke, Gerhard Wolber, Jörg Rademann
Targeted small molecule inhibitors blocking the cytolytic effects of pneumolysin and homologous toxins. Nature communications 15 (1) (2024)
Kristina Puls, Gerhard Wolber
Solving an Old Puzzle: Elucidation and Evaluation of the Binding Mode of Salvinorin A at the Kappa Opioid Receptor. Molecules (Basel, Switzerland) 28 (2) (2023)
Yue Shi, Jianye Li, Clemens Alexander Wolf, Sijie Liu, Sangeeta S Sharma, Gerhard Wolber, Matthias Bureik, Benjamin R Clark
Expected and Unexpected Products from the Biochemical Oxidation of Bacterial Alkylquinolones with CYP4F11. Journal of natural products (2023)
Kristina Puls, Gerhard Wolber
Solving an Old Puzzle: Elucidation and Evaluation of the Binding Mode of Salvinorin A at the Kappa Opioid Receptor. Molecules (Basel, Switzerland) 28 (2) (2023)
Kristina Puls, Gerhard Wolber
Solving an Old Puzzle: Elucidation and Evaluation of the Binding Mode of Salvinorin A at the Kappa Opioid Receptor. Molecules (Basel, Switzerland) 28 (2) (2023)
Lukas Corbinian Harps, Annika Lisa Jendretzki, Clemens Alexander Wolf, Ulrich Girreser, Gerhard Wolber, Maria Kristina Parr
Development of an HPLC-MS/MS Method for Chiral Separation and Quantitation of ( R )- and ( S )-Salbutamol and Their Sulfoconjugated Metabolites in Urine to Investigate Stereoselective Sulfonation. Molecules (Basel, Switzerland) 28 (20) (2023)
Friederike Wunsch, Trung Ngoc Nguyen, Gerhard Wolber, Marcel Bermudez
Structural determinants of sphingosine-1-phosphate receptor selectivity. Archiv der Pharmazie (2023)
Yuwen Jia, Barbara Schroeder, Yvonne Pfeifer, Christopher Fröhlich, Lihua Deng, Christoph Arkona, Benno Kuropka, Jana Sticht, Kenichi Ataka, Silke Bergemann, Gerhard Wolber, Christoph Nitsche, Martin Mielke, Hanna-Kirsti S Leiros, Guido Werner, Jörg Rademann
Kinetics, Thermodynamics, and Structural Effects of Quinoline-2-Carboxylates, Zinc-Binding Inhibitors of New Delhi Metallo-β-lactamase-1 Re-sensitizing Multidrug-Resistant Bacteria for Carbapenems. Journal of medicinal chemistry (2023)
Somaya A Abdel-Rahman, Valerij Talagayev, Szymon Pach, Gerhard Wolber, Moustafa T Gabr
Discovery of Small-Molecule TIM-3 Inhibitors for Acute Myeloid Leukemia Using Pharmacophore-Based Virtual Screening. Journal of medicinal chemistry (2023)
Dmitri Stepanov, David Buchmann, Nadin Schultze, Gerhard Wolber, Katharina Schaufler, Sebastian Guenther, Vitaly Belik
A Combined Bayesian and Similarity-Based Approach for Predicting E. coli Biofilm Inhibition by Phenolic Natural Compounds. Journal of natural products 85 (10) (2022)
Theresa Noonan, Katrin Denzinger, Valerij Talagayev, Yu Chen, Kristina Puls, Clemens Alexander Wolf, Sijie Liu, Trung Ngoc Nguyen, Gerhard Wolber
Mind the Gap-Deciphering GPCR Pharmacology Using 3D Pharmacophores and Artificial Intelligence. Pharmaceuticals (Basel, Switzerland) 15 (11) (2022)
Kristina Puls, Aina-Leonor Olivé-Marti, Szymon Pach, Birgit Pinter, Filippo Erli, Gerhard Wolber, Mariana Spetea
In Vitro, In Vivo and In Silico Characterization of a Novel Kappa-Opioid Receptor Antagonist. Pharmaceuticals (Basel, Switzerland) 15 (6) (2022)
Ya Lu, Xueling Liu, Rowaa Lotfy, Sijie Liu, Abel Fekadu Tesfa, Gerhard Wolber, Matthias Bureik, Benjamin R Clark
Experimental and Computational Studies on the Biotransformation of Pseudopyronines with Human Cytochrome P450 CYP4F2. Journal of natural products 85 (11) (2022)
Jie Zhao, Sijie Liu, Clemens Alexander Wolf, Gerhard Wolber, Maria Kristina Parr, Matthias Bureik
Changes in Alprazolam Metabolism by CYP3A43 Mutants. Biomedicines 10 (12) (2022)
Kristina Puls, Helmut Schmidhammer, Gerhard Wolber, Mariana Spetea
Mechanistic Characterization of the Pharmacological Profile of HS-731, a Peripherally Acting Opioid Analgesic, at the µ-, δ-, κ-Opioid and Nociceptin Receptors. Molecules (Basel, Switzerland) 27 (3) (2022)
Fan Yang, Sijie Liu, Gerhard Wolber, Matthias Bureik, Maria Kristina Parr
Complete Reaction Phenotyping of Propranolol and 4-Hydroxypropranolol with the 19 Enzymes of the Human UGT1 and UGT2 Families. International journal of molecular sciences 23 (13) (2022)
Jie Zhao, Sijie Liu, Clemens Alexander Wolf, Gerhard Wolber, Maria Kristina Parr, Matthias Bureik
Changes in Alprazolam Metabolism by CYP3A43 Mutants. Biomedicines 10 (12) (2022)
Maria Dumitrascuta, Marcel Bermudez, Olga Trovato, Jolien De Neve, Steven Ballet, Gerhard Wolber, Mariana Spetea
Antinociceptive Efficacy of the µ-Opioid/Nociceptin Peptide-Based Hybrid KGNOP1 in Inflammatory Pain without Rewarding Effects in Mice: An Experimental Assessment and Molecular Docking. Molecules (Basel, Switzerland) 26 (11) (2021)
Matej Janežič, Katja Valjavec, Kaja Bergant Loboda, Barbara Herlah, Iza Ogris, Mirijam Kozorog, Marjetka Podobnik, Simona Golič Grdadolnik, Gerhard Wolber, Andrej Perdih
Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα. International journal of molecular sciences 22 (24) (2021)
Carolin Tauber, Rebekka Wamser, Christoph Arkona, Marisa Tügend, Umer Bin Abdul Aziz, Szymon Pach, Robert Schulz, Dirk Jochmans, Gerhard Wolber, Johan Neyts, Jörg Rademann
Chemical Evolution of Antivirals Against Enterovirus D68 through Protein-Templated Knoevenagel Reactions. Angewandte Chemie (International ed. in English) 60 (24) (2021)
Szymon Pach, Trung Ngoc Nguyen, Jakob Trimpert, Dusan Kunec, Nikolaus Osterrieder, Gerhard Wolber
ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics Study. Molecular informatics 40 (9) (2021)
Maria Dumitrascuta, Marcel Bermudez, Steven Ballet, Gerhard Wolber, Mariana Spetea
Mechanistic Understanding of Peptide Analogues, DALDA, [Dmt1]DALDA, and KGOP01, Binding to the mu Opioid Receptor. Molecules (Basel, Switzerland) 25 (9) (2020)
Yanan Sun, David Machalz, Gerhard Wolber, Maria Kristina Parr, Matthias Bureik
Functional Expression of All Human Sulfotransferases in Fission Yeast, Assay Development, and Structural Models for Isoforms SULT4A1 and SULT6B1. Biomolecules 10 (11) (2020)
David Schaller, Gerhard Wolber
PyRod Enables Rational Homology Model-based Virtual Screening Against MCHR1. Molecular informatics 39 (6) (2020)
Katrin Denzinger, Trung Ngoc Nguyen, Theresa Noonan, Gerhard Wolber, Marcel Bermudez
Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT2B Receptors. International journal of molecular sciences 21 (24) (2020)
Marcel Bermudez, Maria Grabowski, Manuela S Murgueitio, Markus Tiemann, Péter Varga, Thomas Rudolf, Gerhard Wolber, Günther Weindl, Jörg Rademann
Biological Characterization, Mechanistic Investigation and Structure-Activity Relationships of Chemically Stable TLR2 Antagonists. ChemMedChem 15 (14) (2020)
Dmitri Stepanov, Steven Canipa, Gerhard Wolber
HuskinDB, a database for skin permeation of xenobiotics. Scientific data 7 (1) (2020)
David Schaller, Stefanie Hagenow, Holger Stark, Gerhard Wolber
Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands. PloS one 14 (6) (2019)
Luca Agnetta, Marcel Bermudez, Fabio Riefolo, Carlo Matera, Enrique Claro, Regina Messerer, Timo Littmann, Gerhard Wolber, Gerhard Bringmann, Michael Decker
Fluorination of Photoswitchable Muscarinic Agonists Tunes Receptor Pharmacology and Photochromic Properties. Journal of medicinal chemistry 62 (6) (2019)
Alexandra Naß, David Schaller, Gerhard Wolber
Assessment of Flexible Shape Complementarity: New Opportunities to Explain and Induce Selectivity in Ligands of Protein Tyrosine Phosphatase 1B. Molecular informatics 38 (5) (2019)
David Schaller, Szymon Pach, Gerhard Wolber
PyRod: Tracing Water Molecules in Molecular Dynamics Simulations. Journal of chemical information and modeling 59 (6) (2019)
Robert Schulz, Amira Atef, Daniel Becker, Franziska Gottschalk, Carolin Tauber, Stefan Wagner, Christoph Arkona, Atef A Abdel-Hafez, Hassan H Farag, Jörg Rademann, Gerhard Wolber
Phenylthiomethyl Ketone-Based Fragments Show Selective and Irreversible Inhibition of Enteroviral 3C Proteases. Journal of medicinal chemistry 61 (3) (2018)
Marcel Bermudez, Andreas Bock, Fabian Krebs, Gerhard Bringmann, Klaus Mohr, Martin J Lohse, Gerhard Wolber
Ligand-Specific Restriction of Extracellular Conformational Dynamics Constrains Signaling of the M2 Muscarinic Receptor. ACS chemical biology 12 (7) (2017)
Jérémie Mortier, Julien R C Prévost, Dominique Sydow, Sabine Teuchert, Christian Omieczynski, Marcel Bermudez, Raphaël Frédérick, Gerhard Wolber
Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities. Scientific reports 7 (1) (2017)
Daniel Becker, Zuzanna Kaczmarska, Christoph Arkona, Robert Schulz, Carolin Tauber, Gerhard Wolber, Rolf Hilgenfeld, Miquel Coll, Jörg Rademann
Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments. Nature communications 7 (2016)
Christin Rakers, Fabian Schumacher, Walter Meinl, Hansruedi Glatt, Burkhard Kleuser, Gerhard Wolber
In Silico Prediction of Human Sulfotransferase 1E1 Activity Guided by Pharmacophores from Molecular Dynamics Simulations. The Journal of biological chemistry 291 (1) (2015)