Chemists in Ohio have discovered that half of all of the known chemical compounds in the world have an amazing similarity in sharing only 143 basic molecular shapes. That sharply limits the number of molecular building blocks that chemists often deploy in efforts to develop new drugs and other products, the researchers say in a study scheduled for the June 20 issue of the bi-weekly ACS’ Journal of Organic Chemistry. Alan H. Lipkus and colleagues note that researchers have known for years that certain features of molecules, such as rings of atoms and the bonds than link them together, appear time after time in hundreds of life-saving medications, food additives, and other widely used products. Scientists often tend to focus on these well-known types of molecular scaffolding in their quest to select the most promising rings, linkers, and other components for building new drugs while overlooking less familiar structures, the researchers say. In the new study, they analyzed the chemical frameworks of more than 24 million organic substances found in the ACS’ Chemical Abstracts Service (CAS) Registry, the world’s most comprehensive database of disclosed molecules. They found that half of the substances could be described by […]
Thursday, June 26th, 2008
12 Million Molecules Share 143 Basic Shapes, Researchers Find
Author:
Source: ScienceDaily
Publication Date: 23-Jun-08
Link: 12 Million Molecules Share 143 Basic Shapes, Researchers Find
Source: ScienceDaily
Publication Date: 23-Jun-08
Link: 12 Million Molecules Share 143 Basic Shapes, Researchers Find
Stephan: Journal reference:
Lipkus, Alan H., Yuan, Qiong, Lucas, Karen A., Funk, Susan A., Bartelt, William F., Schenck, Roger J., and Trippe, Anthony J. Structural Diversity of Organic Chemistry. A Scaffold Analysis of the CAS Registry. J. Org. Chem., 73, 12, 4443 - 4451, 2008 DOI: 10.1021/jo8001276
American Chemical Society (2008, June 23). 12 Million Molecules Share 143 Basic Shapes, Researchers Find. ScienceDaily. Retrieved June 25, 2008, from http://www.sciencedaily.com /releases/2008/06/080623093425.htm
Thanks to Damien Broderick, PhD.