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Exploring the chemical universe for drug discovery

English title Exploring the chemical universe for drug discovery
Applicant Reymond Jean-Louis
Number 112016
Funding scheme Project funding (Div. I-III)
Research institution Departement für Chemie, Biochemie und Pharmazie Universität Bern
Institution of higher education University of Berne - BE
Main discipline Organic Chemistry
Start/End 01.05.2006 - 30.04.2008
Approved amount 134'476.00
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Keywords (11)

cheminformatics; databases; molecular diversity; combinatorial chemistry; enzyme inhibitors; drug design; computational chemistry; glutamate receptors; peptides; glutamate transporters; acetyl choline receptors

Lay Summary (English)

Lay summary
Improving human health largely depends on the continuous discovery of new drug molecules for treating diseases. In order to expand the reach of available molecules for medicine, we have generated a large database of all possible small organic molecules, called GDB, which contains 26.4 million structure up to 11 atoms of C, N, O and F. The project now builds on this database for targeted application on selected drug targets, in particular glutamate receptors and transporters and acetyl choline receptors in the central nervous system, using virtual screening as a tool for discovery. Several promising lead structures have already been identified, synthesized, and their activity confirmed, and we are confident that this line of research will provide new structural types for drugs.
Direct link to Lay Summary Last update: 21.02.2013

Responsible applicant and co-applicants


Associated projects

Number Title Start Funding scheme
119987 Exploring the chemical universe for drug discovery 01.05.2008 Project funding (Div. I-III)
103553 New Concepts in Diversity Oriented Synthesis 01.05.2004 Project funding (Div. I-III)