Rapid prediction of glycan impact on protein structures using experimental information

Description: The invention is a rapid method for prediction the structure of sugars on the surfaces of proteins and their impact on interactions with other biomolecules. This information is very important in finding new drug-binding sites, so the created solution can be extremely helpful in the pharma industry.

Glycans are chains of sugar molecules that coat the surfaces of proteins in our body and affect their interactions with other molecules. Therefore, knowledge of glycans plays an important role, for example, in drug discovery. Due to the high variability and mobility of sugars, experimental studies are very complex. Advanced simulations to study how different glycans coat proteins require hundreds of thousands of computing hours on dedicated supercomputers, which does not allow their routine use, for example, in the process of creating new drugs. An international team of scientists led by Dr. Mateusz Sikora of Jagiellonian University has developed a revolutionary approach to visualize the distribution and behavioral dynamics of sugar molecules on proteins within minutes, helping us understand how the glycans “shield” the proteins in important drug-binding sites. The software may immensely support the development of new vaccines, drugs and advanced therapies, such as cancer immunotherapy.

Organisation: Jagiellonian University

Innovator(s): SIKORA Mateusz, HANUS Cyril, HSU Shang-Te Danny, TSAI Yu-Xi, CHANG Ning-En, REUTER Klaus, CHANG Hao-Ting, YANG Tzu-Jing, von BÜLOW Sören, SEHRAWAT Vidhi, ZERROUKI Noémie, TUFFERY Matthieu, GECHT Michael, GROTHAUS Isabell Louise, CIACCHI Lucio Colombi, WANG Yong-Sheng, HSU Min-Feng, KHOO Kay-Hooi, HUMMER Gerhard

Category: Pharma

Country: Poland