[HTML][HTML] Revolutionizing drug targeting strategies: integrating artificial intelligence and structure-based methods in PROTAC development

Danishuddin, MS Jamal, KS Song, KW Lee, JJ Kim… - Pharmaceuticals, 2023 - mdpi.com
PROteolysis TArgeting Chimera (PROTAC) is an emerging technology in chemical biology
and drug discovery. This technique facilitates the complete removal of the target proteins …

The LightDock Server: Artificial Intelligence-powered modeling of macromolecular interactions

B Jiménez-García, J Roel-Touris… - Nucleic acids …, 2023 - academic.oup.com
Computational docking is an instrumental method of the structural biology toolbox.
Specifically, integrative modeling software, such as LightDock, arise as complementary and …

AlphaFold-Multimer struggles in predicting PROTAC-mediated protein-protein interfaces

GP Pereira, C Gouzien, PCT Souza, J Martin - bioRxiv, 2024 - biorxiv.org
AlphaFold2 (AF2) made its debut in the CASP14 competition, generating structures which
could rival experimentally determined ones and causing a paradigm shift in the structural …

PROTAC-induced Protein Functional Dynamics in Targeted Protein Degradation

KY Wu, TI Hung, CA Chang - bioRxiv, 2024 - biorxiv.org
Abstract PROteolysis TArgeting Chimeras (PROTACs) are small molecules that induce
target protein degradation via the ubiquitin-proteasome system. PROTACs recruit the target …