Results 251 to 260 of about 1,090,432 (279)

Identification of new potent GPR119 agonists by combining virtual screening and combinatorial chemistry.

Journal of Medicinal Chemistry, 2012
Virtual screening in a huge collection of virtual combinatorial libraries has led to the identification of two new structural classes of GPR119 agonists with submicromolar in vitro potencies.
B. Wellenzohn, U. Lessel, A. Beller, Timo Isambert, C. Hoenke, B. Nosse   +5 more
semanticscholar   +1 more source

Dynamic combinatorial libraries: from exploring molecular recognition to systems chemistry.

Journal of the American Chemical Society, 2013
Dynamic combinatorial chemistry (DCC) is a subset of combinatorial chemistry where the library members interconvert continuously by exchanging building blocks with each other.
Jianwei Li, P. Nowak, S. Otto
semanticscholar   +1 more source

Fuzzy electron density fragments in macromolecular quantum chemistry, combinatorial quantum chemistry, functional group analysis, and shape-activity relations.

Accounts of Chemical Research, 2014
Conspectus Just as complete molecules have no boundaries and have "fuzzy" electron density clouds approaching zero density exponentially at large distances from the nearest nucleus, a physically justified choice for electron density fragments exhibits ...
P. Mezey
semanticscholar   +1 more source

Bacteriophages and viruses as a support for organic synthesis and combinatorial chemistry.

ACS Chemical Biology, 2012
Display of polypeptide on the coat proteins of bacteriophages and viruses is a powerful tool for selection and amplification of libraries of great diversity.
S. Ng, M. Jafari, R. Derda
semanticscholar   +1 more source

Dynamic combinatorial chemistry employing boronic acids/boronate esters leads to potent oxygenase inhibitors.

Angewandte Chemie, 2012
The application of dynamic reactions is a promising approach for the discovery of small-molecule ligands for proteins. To date, however, this method is limited by the few appropriate reactions and the techniques used for the analysis of protein– ligand ...
M. Demetriades, Ivanhoe K. H. Leung, R. Chowdhury, M. Chan, M. McDonough, K. Yeoh, Ya-min Tian, T. Claridge, P. Ratcliffe, E. Woon, C. Schofield   +10 more
semanticscholar   +1 more source

Discovery of linear receptors for multiple dihydrogen phosphate ions using dynamic combinatorial chemistry.

Journal of the American Chemical Society, 2011
We describe the use of dynamic combinatorial chemistry to discover a new series of linear hydrazone-based receptors that bind multiple dihydrogen phosphate ions.
Sophie R. Beeren, J. Sanders
semanticscholar   +1 more source

Integrating virtual screening and combinatorial chemistry for accelerated drug discovery.

Combinatorial chemistry & high throughput screening, 2011
Virtual screening is increasingly being used in drug discovery programs with a growing number of successful applications. Experimental methodologies developed to speed up the drug discovery processes include high-throughput screening and combinatorial ...
Fabian López-Vallejo, T. Caulfield, K. Martínez-Mayorga, M. Giulianotti, A. Nefzi, R. Houghten, J. Medina-Franco   +6 more
semanticscholar   +1 more source

The rise, fall and reinvention of combinatorial chemistry.

Chemical Communications, 2011
Combinatorial chemistry provides a powerful tool for the rapid creation of large numbers of synthetic compounds. Ideally, these libraries should be a rich source of bioactive molecules, but there is the general feeling that the initial promise of ...
T. Kodadek
semanticscholar   +1 more source

Photoinversion of sulfoxides as a source of diversity in dynamic combinatorial chemistry.

Organic Letters, 2011
Photochemical interconversion of the two diastereoisomers cis- and trans-thianthrene dioxide (1) can be considered an example of photodynamic combinatorial chemistry (PDCC) in which the interconversion among diastereomeric equilibrating species is ...
S. Di Stefano, Marco Mazzonna, E. Bodo, L. Mandolini, O. Lanzalunga   +4 more
semanticscholar   +1 more source

Solid-state dynamic combinatorial chemistry: reversibility and thermodynamic product selection in covalent mechanosynthesis

, 2011
We demonstrate the reversibility and thermodynamic control in covalent mechanosynthesis, by using the base-catalysed metathesis of aromatic disulfides as a model reaction.
Ana M. Belenguer, T. Friščić, G. Day, J. Sanders   +3 more
semanticscholar   +1 more source