kolblab.org

Kolb Lab Emmy Noether DFG

The Kolb Lab is located at the Department of Pharmaceutical Chemistry at Philipps-Universität Marburg.
The lab is deeply involved in COST Action CM1207 "GLISTEN: GPCR-Ligand Interactions, Structures, and Transmembrane Signalling: a European Research Network".
We are also a member lab of SYNMIKRO
and SynChemBio.
[en][de]


Research interests

Docking
Word cloud generated with Wordle from publication abstracts. Thanks to Xavier Deupi for the idea!

Small molecules are frequently used both in Nature and therapeutically to modulate the activity of the protein they bind to. Yet, many aspects of small-molecule:protein interactions are surprisingly poorly understood. For instance, ligand polypharmacology, i.e. binding to multiple proteins, often comes as a surprise, although it is frequently precisely the reason for a drug's efficacy or its side effects. On the protein side, a point mutation in the binding site, although only a small change, can abolish drug binding, leading to resistance. Thus, it is highly relevant to develop a comprehensive understanding of small-molecule:protein interaction profiles in molecular detail and correlate these profiles with signaling and metabolic pathways.

Our main tool is small molecule docking, but we also use chemoinformatic approaches and molecular dynamics. The research spans method development, basic research and applications. Currently the investigations deal with kinases and G protein-coupled receptors (GPCRs).


Publications

Most recent:
30 Structure-based virtual screening for dopamine D2 receptor ligands as potential antipsychotics
Agnieszka A. Kaczor, Andrea G. Silva, María I. Loza, Peter Kolb, Marián Castro, Antti Poso
ChemMedChem 2016, accepted.
29 Three stories on Eph kinase inhibitors: from in silico discovery to in vivo validation
Andrea Unzue, Karine Lafleur, Hongtao Zhao, Ting Zhou, Jing Dong, Peter Kolb, Johanna Liebl, Stefan Zahler, Amedeo Caflisch, Cristina Nevado
Eur. J. Med. Chem. 2016, in press. [pdf][review]
28 Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry
Maria Martí-Solano, Denis Schmidt, Peter Kolb, Jana Selent
Drug Discov. Today 2016, in press. [pdf][review]
full list

Lab members

Lab Mar 2015
Clarissa Springer [Intern]
Juan Carlos Mobarec [Former Postdoc]
Steffen Hartmann [Intern]
Florent Chevillard [Graduate Student]
Matthäus Drabek [Intern]
Corey Taylor [Graduate Student]
Peter Kolb [Principal Investigator]
Anja Witzenhausen [Graduate Student]
Denis Schmidt [Postdoc]
Jakub Gunera [Graduate Student]
Not in picture:
Robert Giessmann [Master Student][co-supervised]
Nikol Gröning [GLISTEN Assistant]
Maria Martí-Solano [Postdoc]
Magdalena Scharf [Intern]

Teaching


Scubidoo


Daim – a program to generate fragments


Joining the Lab




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