Major breakthroughs have been made in the study of molecular 3D structure, which has brought new prospects for the development of new drugs

Recently, the Cisco team from City University of New York made a major breakthrough in molecular 3D structure research, which was published September 20 in the journal Science.
The study builds on the findings of the 2010 Nobel Prize in Chemistry, "The catalytic cross-coupled reaction of palladium in organic synthesis", which enabled humans to manufacture complex compounds precisely and efficiently, widely used in the pharmaceutical, electronics and advanced materials sectors. This pioneering cross-coupled reaction technology makes it possible to rapidly build new drug candidates, but is largely limited to the construction of flat (2D) molecules.
The Bpiscoe research team made a breakthrough in the study of molecular 3D structure, which solved the limitation that new drug research and development has been limited by the inability to accurately control molecular 3D structure, and brought new prospects for the development of new drugs.
" two molecules with the same structure and composition, but mirror each other, produce very different biological reactions. Therefore, controlling the direction of atoms in a molecule's three-dimensional structure is critical to the drug discovery process," said author Mark Biscoe. The salidamine incident is a famous tragedy in the history of medicine, which brought great harm in the 1950s and 1960s, because the biological effects of the two mirror images of salidamine are different. "Today, cross-coupled reactions are widely used in drug discovery, but they do not achieve 3D control of molecular structures. Our team developed a new process to achieve this control, which allows for the selective formation of molecular mirroring. "
" By understanding how different cymomes affect the final geometry of cross-coupled products, we have developed reliable methods to selectively preserve or reverse the geometry of molecules," said the paper's lead author, Dr. Shibin Zhao. "
's team solved a major challenge in drug discovery. Previously, catalytic cross-coupled reactions were only able to generate 2D molecular libraries for biological testing. Now, scientists can quickly generate new compound libraries using cross-coupled reactions in new ways, while controlling the 3D structure of compounds, which will help discover and develop new drugs. (Bio Valley)