Macao Polytechnic University Research Team Publishes Groundbreaking PROTAC Computational Design Study, Offering Key Insights for "Undruggable" Target Drug Development
Macao Polytechnic University Research Team Publishes Groundbreaking PROTAC Computational Design Study, Offering Key Insights for "Undruggable" Target Drug Development
A research team led by Professor Yao Xiaojun and Professor Liu Huanxiang from the Center for Artificial Intelligence Driven Drug Discovery of Macao Polytechnic University has published a seminal paper titled "Rational Proteolysis Targeting Chimera Design Driven by Molecular Modeling and Machine Learning" in the internationally Top journal WIREs Computational Molecular Science.
This study systematically reviews the research progress in molecular modeling and machine learning-driven PROTAC (Proteolysis Targeting Chimera) design, while providing forward-looking perspectives on future trends in the field. The proposed strategies are expected to accelerate the discovery of targeted protein degradation drugs, offering critical references for developing therapeutics against traditionally "undruggable" targets in oncology, neurodegenerative diseases, and other areas.
WIREs Computational Molecular Science is recognized as one of the most influential top-tier journals in the field of mathematical and computational biology. Indexed in SCIE and Scopus among other international databases, it ranks: Top 1.5% in the SCIE category of "Mathematics & Computational Biology" and Top 4.8% in "Chemistry, Multidisciplinary" with a current impact factor of 16.8.
This research was supported by the Macao Science and Technology Development Fund (Grant No.: 0030/2024/RIA1) and Macao Polytechnic University Research Project (RP/FCA-15/2023).