Knowledge Library
Discovery of SARS-CoV-2 Papain-like Protease Inhibitors
SARS-CoV-2 antivirals which have been clinically approved or are in late-stage development are directed against either the RNA-dependent RNA polymerase (RdRp) or the main protease (Mpro). With the possibility of resistance developing over time, there is a need for additional oral antivirals directed against currently undrugged viral targets. Conserved across coronaviruses, the SARS-CoV-2 papain-like protease …Read More >
In Silico Drug Discovery Platform
WuXi AppTec offers a comprehensive platform of in silico drug discovery services to accelerate the process of hit finding and hit-to-lead optimization. We provide access to virtual chemical spaces built from our library of novel drug-like scaffolds, to support virtual screening and structure-based virtual screening (SBVS). Advances in ML-empowered virtual screening allows project teams to …Read More >
Heme Oxygenase-1-Targeting Molecules
WuXi AppTec scientists published a study in the open access archive ChemRxiv describing the discovery of highly selective, novel, heme oxygenase-1 (HO-1) targeting molecules. HO-1, primarily a heme-degrading enzyme, has been identified as a potential therapeutic target in diseases such as cancer and neurodegenerative disorders. Here, we report the discovery of five series of novel …Read More >
DNA-Encoded Libraries for the Discovery of Small-Molecule Hits
Drug Discovery Chemistry Conference 2023 DNA-Encoded library (DEL) screening is now commonly used in the pharmaceutical industry to find novel chemical matter that modulates protein targets of interest. Point-by-point, Dr. Alex Satz, Executive Director, WuXi Biology will discuss the primary challenges and limitations of DEL screening, and concisely state the current abilities of the technology …Read More >
Case Study: DEL Data Combined with In Silico Deep-Learning Model
Read our newest case study on enhancing predictivity of drug-target interactions. In collaboration with Cyclica, WuXi AppTec scientists engaged in a study to understand the synergies between DNA encoded library (DEL) screening and Cyclica’s MatchMaker™ deep-learning model for protein-ligand interactions. Our findings indicate that combining experimental DEL data with computational analysis from MatchMaker™ can lead …Read More >
Computer-Aided Drug Discovery Services
Discovery Newsletter Special New Year Edition 2023
Drugging the Undruggable: Leveraging the Right Screening Methods for Challenging Targets
Challenging targets, such as membrane proteins or protein-protein interactions were considered undruggable in the past. However, today a variety of screening methods can be used to help develop drugs against these formerly undruggable targets.
WuXi AppTec Discovery Services
Delivering comprehensive end-to-end solutions for creating, identifying, and supporting preclinical candidates, from discovery to development, with our integrated chemistry and biology research platforms.
