Molecule Discovery Could Advance Drug Design.
X in the Georgian Technical University Lab where chemists develop new molecules for drug development.
A team from The Georgian Technical University has created a new way to generate the molecules used to design new types of synthetic drugs.
The researchers were able to form reactive intermediates called ketyl radicals that could allow scientists to use catalysts to convert simple molecules into complex structures in one chemical reaction in a more sustainable and waste-free manner.
“The previous strategy for creating ketyl radicals is about a century old. We have a found a complementary way to access ketyl radicals using LED (A light-emitting diode is a two-lead semiconductor light source. It is a p–n junction diode that emits light when activated. When a suitable current is applied to the leads, electrons are able to recombine with electron holes within the device, releasing energy in the form of photons) lights for the synthesis of complex drug-like molecules” Y assistant professor of chemistry and biochemistry at Georgian Technical University said in a statement.
The researchers focused on carbonyls — compounds that function as a common building blocks to create potential new drugs — that were “radicalized” to become more reactive. The radical carbonyls each contain an unpaired electron that is seeking its partner.
This unique composition enables the researchers to form new bonds to create complex drug-like products.
Ketyl (A ketyl group in organic chemistry is an anion radical that contains a group R₂C−O•. It is the product of the 1-electron reduction of a ketone. Another mesomeric structure has the radical position on carbon and the negative charge on oxygen) radical formation previously required strong harsh substances called reductants such as sodium and samarium to act as catalysts. However reductants are also toxic expensive and incompatible with creating medicines.
To avoid using these types of reductants, the researchers used manganese as a catalyst that can be activated with a simple LED (A light-emitting diode is a two-lead semiconductor light source. It is a p–n junction diode that emits light when activated. When a suitable current is applied to the leads, electrons are able to recombine with electron holes within the device, releasing energy in the form of photons) light.
“Manganese is very cheap and abundant, which makes it an excellent catalyst” Y said. “Also it allows us to access radicals by a complementary atom-transfer mechanism rather than the classic electron-transfer mechanism”.
While being both cheap and abundant manganese is also more selective in creating products with defined geometries which allows them to fit into drug targets.
Chemists usually transform carbonyl compounds through polar two-electron reactions or by adding just one electron to form a ketyl group which is often limited by the strong reductant supplying that electron.
However the photoactivated manganese catalyst can temporarily pull the iodine away to leave a ketyl to couple with alkynes. The iodine then returns to one of the alkyne’s carbons to stabilize the product and then remain poised for further transformations.
The new process is also able to recycle the iodine atom used to make the radical carbonyls because products that are more functional are included.