Collaboration with Pharmacelera on AI for DEL screening
Dresden/Barcelona. DyNAbind and Pharmacelera are happy to announce a joint scientific collaboration in the fields of DNA-Encoded Libraries (DEL) and Artificial Intelligence (AI) for drug discovery. DEL screening is perceived as one of the main sources of new chemical matter in forthcoming years as the technology enables testing millions of molecules in a single wet experiment, in contrast to traditional High-Throughput Screening methodologies.
Some of the main challenges of DEL screenings are the management of noisy data as well as the conversion of binders into easily synthesizable or purchasable hits. Given the big amount of datapoints provided by DEL screening, AI and Ligand-Based Drug Discovery (LBDD) in-silico tools are attractive tools for overcoming these limitations. The conjunction of both companies’ technologies will enable pharmaceutical companies, biotech organizations and public research institutions to find novel chemical scaffolds with new intellectual property from a huge and unexplored chemical space.
“We are excited to begin this scientific collaboration with Pharmacelera and to assess the benefits of our complementary technologies for drug discovery“, says Michael Thompson, DyNAbind’s co-founder and CEO. “Pharmacelera’s accurate 3D molecular descriptors and expertise in AI can help in the post-processing of the data and in overcoming our main challenges”, he adds.
“DyNAbind is a premier organization in the area of DNA-Encoded Libraries, and we are very excited to kick-off a collaboration with them“, Enric Gibert, CEO of Pharmacelera explains. “DyNAbind’s DEL capabilities, which combine traditional small molecule approaches with fragment-based data, generate millions of useful and meaningful datapoints that our state-of-the-art LBDD tools and AI expertise can use to propose novel hits with larger chemical diversity”, he adds.
DyNAbind is a privately owned company focusing on novel DNA-Encoded Library approaches for drug discovery. The company combines small molecule and fragment-based approaches with unprecedented levels of library QC to offer more relevant medicinal chemistry start points in a highly drug-like space. A patented decoding system and powerful in-house informatics platform allows deep insight into the screening data for supporting either de novo drug design or optimization of existing ligands. Since foundation in 2017, DyNAbind has been based in Dresden, Germany and collaborates with pharmaceutical companies, biotechs and academic groups in the US, Europe and Asia.
Pharmacelera develops advanced computational tools for the discovery of novel hits using accurate Quantum-Mechanics (QM), Artificial Intelligence (AI) and High-Performance Computing (HPC). The company’s products PharmScreen and PharmQSAR use 3D molecular descriptors to mine an unexplored chemical space and to identify hits uncovered by traditional algorithms. Pharmacelera is a private company founded in 2015 and based in Barcelona, Spain. The company works with several big pharma and biotech organizations across Europe and the United States.
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