Researchers open the door to a new era of medicinal chemistry

Advances in the pharmaceutical industry largely depend on achievements and advances in medical chemistry. Large pharmaceutical companies, which set the tone of the industry, can be considered as major drivers of the evolution of medicinal chemistry. Since 2007, the number of patent registrations involving new chemical entities has dropped significantly and many molecules observed during the high-throughput screening (HTS) boom have not been found to be attractive. Despite this, the dominant methods and principles of organic chemistry have evolved considerably and have resulted in the construction of molecules with increased 3D complexity.

At present, a team of researchers from the Department of Medicinal Chemistry of Insilico Medicine presented the original descriptor MCE-18, which defines key features of "next-generation" molecules and traces the evolution of medicinal chemistry over the years.

Yan Ivanenkov, Head of the Department of Medicinal Chemistry at Insilico Medicine, along with Bogdan Zagribelnyy and Vladimir Aladinskiy, both scientists from the Department of Medicinal Chemistry at Insilico Medicine, presented their findings on the MCE-18 in the document, " Are we opening the door to a new era of medicinal chemistry or a collapse to a chemical singularity? "In the Journal of medicinal chemistry.

MCE-18 can be used to evaluate the effectiveness of new molecules and help researchers design new chemical entities with great potential for the development of modern drugs.

Equipped with the MCE-18 descriptor and the recently developed in silico tools, we have clearly shown that molecules and scaffolds are more and more sophisticated and have a high degree of 3D complexity for compounds directed against various biological targets such as kinases , GPCRs and proteases. The pharmaceutical sector has become more qualitative and smarter. We can reasonably view this as a new turning point in chemical evolution and claim that medical chemistry ushered in a new era of drug design and development. "

Yan Ivanenkov, Head of the Department of Medicinal Chemistry at Insilico Medicine