Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Mario Lobell"'
Autor:
Lara Kuhnke, Floriane Montanari, Mario Lobell, Sebastian Schneckener, Jörg Wichard, Alexander Hillisch, Andreas H. Göller, Antonius Ter Laak, Anne Bonin
Publikováno v:
Drug Discovery Today. 25:1702-1709
Over the past two decades, an in silico absorption, distribution, metabolism, and excretion (ADMET) platform has been created at Bayer Pharma with the goal to generate models for a variety of pharmacokinetic and physicochemical endpoints in early dru
Autor:
Klemens Lustig, Walter Hübsch, Holger Hess-Stumpp, Sylvia Grünewald, Verena Vöhringer, Hartmut Schirok, Mélanie Héroult, Mario Lobell, Ulf Bömer, Rolf Jautelat, Dirk Brohm, Marie-Pierre Collin
Publikováno v:
ChemMedChem. 13:437-445
Rogaratinib (BAY 1163877) is a highly potent and selective small-molecule pan-fibroblast growth factor receptor (FGFR) inhibitor (FGFR1-4) for oral application currently being investigated in phase 1 clinical trials for the treatment of cancer. In th
Publikováno v:
RSC Advances. 5:103506-103511
Herein, we report on the conjugation of trastuzumab with 2,5-difluorobenzene diazonium tetrafluoroborate. According to the amount of diazonium salt used, an average loading of 1.0 to 3.8 azo compounds per antibody was found. Tryptic digestion and sub
Autor:
Robert D. Clark, Robert Fraczkiewicz, Ursula Krenz, Mario Lobell, Alexander Hillisch, Rolf Schoenneis, Andreas H. Göller
Publikováno v:
Journal of Chemical Information and Modeling. 55:389-397
In a unique collaboration between a software company and a pharmaceutical company, we were able to develop a new in silico pKa prediction tool with outstanding prediction quality. An existing pKa prediction method from Simulations Plus based on artif
Autor:
Hannah Schneider, Alexander Walter, Sylvia Grünewald, Emese Szabo, Frank Süssmeier, Michael Weller, Angela Broggini-Tenzer, Mario Lobell, Raquel A.C. Machado, Dieter Heldmann
Publikováno v:
Journal of neurochemistry. 140(1)
Targeting the vascular endothelial growth factor signaling axis in glioblastoma inevitably leads to tumor recurrence and a more aggressive phenotype. Therefore, other angiogenic pathways, like the angiopoietin/tunica interna endothelial cell kinase (
Autor:
Jörg Keldenich, Timothy Clark, Arno Friedl, Alexander Hillisch, Matthias Hennemann, Mario Lobell, Andreas H. Göller
Publikováno v:
ChemMedChem. 4:657-669
CypScore is an in silico approach for predicting the likely sites of cytochrome P450-mediated metabolism of druglike organic molecules. It consists of multiple models for the most important P450 oxidation reactions such as aliphatic hydroxylation, N-
Autor:
K Zimmermann, Heimo Ehmke, Heiner Apeler, Santiago Figueroa-Pérez, Mario Lobell, Mark-Jean Gnoth, Klaus Münter, J Lenz, Joachim Dr. Hütter, K H Augstein, Johannes-Peter Stasch, Hartmut Schirok, Andreas Knorr, J K Franz, Joachim Mittendorf, Raimund Kast
Publikováno v:
British Journal of Pharmacology. 152:1070-1080
Background and purpose: Rho-kinase (ROCK) has been implicated in the pathophysiology of altered vasoregulation leading to hypertension. Here we describe the pharmacological characterization of a potent, highly selective and orally active ROCK inhibit
Autor:
Berthold Hinzen, Jörg Keldenich, Mario Lobell, Alexander Hillisch, Heinrich Meier, Carsten Schmeck, Rudolf Schohe-Loop, Tobias Wunberg, Martin Hendrix
Publikováno v:
ChemMedChem. 1:1229-1236
The need for in silico characterization of HTS hit structures as part of a data-driven hit-selection process is demonstrated. A solution is described in the form of an in silico ADMET traffic light and PhysChem scoring system. This has been extensive
Autor:
Heiner Apeler, Nils Griebenow, Anette Sommer, Christoph Mahlert, Simone Greven, Anne-Sophie Rebstock, Sandra Berndt, Sven Wittrock, Carsten Terjung, Mario Lobell, Bertolt Kreft, Beatrix Stelte-Ludwig, Hans-Georg Lerchen, Yolanda Cancho-Grande, Rolf Jautelat
Publikováno v:
Cancer Research. 77:3234-3234
The number of cytotoxic payload classes with different modes-of-action which have been successfully employed in antibody-drug conjugates (ADC) is still rather limited. So far, only ADCs with microtubule inhibitors, DNA binding payloads or topoisomera
Autor:
Patrick J. Baker, Paul Beckett, Graham Catlin, Anthony K. Brown, H. Fiona Rodgers, Shilpa Palan, Wayne Thomas, John M. Clements, Stephen Wood, Sameeh Salama, Mario Lobell, V.V. Barynin, Michael George Hunter, David W. Rice, Mark Whittaker
Publikováno v:
Antimicrobial Agents and Chemotherapy. 45:563-570
Peptide deformylase (PDF) is an essential bacterial metalloenzyme which deformylates the N -formylmethionine of newly synthesized polypeptides and as such represents a novel target for antibacterial chemotherapy. To identify novel PDF inhibitors, we