Congratulations to Pavel Mykhailiuk, Chief Scientific Officer at Enamine, for receiving ERC Consolidator Grant funding for the Project: BENOVELTY - Saturated bioisosteres of benzene and their application in drug design.
The research will be carried out at Enamine Ltd in Ukraine, a global provider of chemical and biological services to biotech companies, academic institutions and research organisations.
Enamine Ltd., a leading chemical research organization and producer of the world’s largest collections of novel building blocks (225,000+) and screening compound libraries (2,740,000+), has joined the Advanced Machine Learning for Innovative Drug Discovery (AIDD) program, funded by the European Union within the framework of the Marie-Skłodowska-Curie Actions (MSCA) with a budget of Euros 3.93 million. The project, coordinated by Helmholtz Zentrum München,Germany, brings together fifteen institutions from eleven countries in addition to the University of British Columbia (Canada) to train sixteen PhD students in close collaboration with associated partners from the USA, Australia, China, Israel and other countries and develop next generation AI and Machine Learning (ML) models and systems for drug discovery.
Today Enamine, a leading provider of small molecules and drug discovery services, Chemspace, an online catalog with the largest offer of small molecules to search and buy, and Blue Dolphin Lead Discovery, a research organization focused on a fee-for-service virtual screening, announced the launch of the collaboration to support drug discovery projects.
Enamine Ltd. and Astex Pharmaceuticals (UK) have cooperated to provide wide access to Astex’ MiniFrag library, an efficient Fragment-based Drug Discovery tool for identification of hot and warm spots of protein targets. The Library is readily available from Enamine in any suitable format, including dry samples or assay-ready high concentration (1M, 100mM) aqueous soaks in containers of preferred type. The detected MiniFrag hits can be followed-up with a wide range of stock available and synthetically feasible derivatives as well as with building blocks for introduction of the relevant structural features for lead optimization.
Melatonin (MT) receptors are established drug targets for aligning circadian phase in disorders of sleep and depression. But there are only a few in vivo hits reported to date. Enamine scientists along with the scientists from UCSF, UNC, USC, and other institutions participated in the research study aimed to fill the gap in therapeutics of these receptors.
Cyclica, Inc. announced a collaboration with Enamine Ltd. to explore its huge readily accessible chemical space using Cyclica’s state-of-the-art AI-driven Ligand Design™ platform. The companies aim to empower Cyclica’s patented, evolutionary algorithm with new design options based on the 73,000 Enamine’s in-stock building blocks and 171 thoroughly validated synthesis procedures. The joint effort is expected to enable Cyclica’s Ligand Design™ to identify novel molecules with desired polypharmacological properties out of over 11 billion REAL™ (readily accessible) compounds. At least 80% of these compounds will be synthesized by Enamine within only 3-4 weeks.
In continuation of our efforts to make affordable screening libraries that can quickly be supplied for screening, we have plated two new targeted libraries designed to bring high quality and novelty to your hit finding program. Both freshly-made libraries are ready for fast shipment within only one week in various formats including assay-ready plates.
Ion Channel Library contains 36 800 compounds.
Protein-Protein Interaction Library has 40 640 compounds including 8 960 Protein Mimetics.
Atomwise, Enamine, and top university researchers collaborate to discovery novel small molecules for the treatment of pediatric cancers using the power of AI and novel chemistry.
Scientists at the UCSF, together with colleagues at the UNC, created the largest “docking-friendly” database of molecules, based on the Readily Accessible (REAL) compounds from Enamine. Practical validation of the new database was recently published in Nature magazine, demonstrating that it is capable of identifying extremely powerful and synthetically available new hits.
The demand for library synthesis at Enamine driven by the on-site access to the world’s largest and most reputable stock of building block has multiplied in 2018. We keep developing our preparative chromatography capabilities to sustain the drastically increasing number of compounds produced.
Enamine will provide chemical synthesis support for a global nonprofit research initiative OpenPandemics COVID-19, organized by Scripps Research and IBM, and aimed at rapidly identifying efficient new drugs against the coronavirus SARS-CoV-2. Enamine will be synthesizing any promising hits identified by the research team at OpenPandemics COVID-19 via large scale docking experiments.
Enamine Ltd., a leading chemical research organization and producer of the world’s largest collections of novel building blocks (225,000+) and screening compound libraries (2,740,000+), today announced the release of the Coronavirus Library. The new screening library capitalizes on Enamine’s decades of chemical R&D, advanced library design expertise, and experience with creating focused antiviral libraries. Enamine is a participant of a global Open Science initiative “COVID Moonshot”, aimed at discovering novel therapeutics against SARS-CoV-2.
An international group of scientists from academia and industry, including Enamine, is trying to help combat COVID-19. This effort began when Chinese scientists worked rapidly to determine the structure of the novel SARS‑CoV‑2 main protease (Mpro), which triggered a massive crystal-based fragment screen at the XChem facility at UK’s Diamond Light Source. For more details, please visit https://www.diamond.ac.uk/covid-19. With the same urgency, the scientists are now trying to progress these data towards what is desperately needed: effective, easy-to-make anti-COVID drugs https://covid.postera.ai/covid.
We are delighted to announce another application of Enamine REAL database recently published in Nature. This paper is a result of the collaborative effort of scientists from Enamine and the leading academic institutions from the USA and Germany.
Optibrium™, BioSolveIT™ and Enamine™ today announce a three-way collaboration enabling efficient search of Enamine’s REAL Space directly from within Optibrium’s StarDrop™ software. This extension to StarDrop is powered by BioSolveIT’s proprietary Feature Trees (FTrees) technology, to search a gigantic chemical space of over 11 billion readily accessible compounds and identify novel compounds that are similar to a query structure of interest. The resulting chemical structures and data are pre-formatted and ready to evaluate using StarDrop’s comprehensive suite of integrated software for small molecule design, optimisation and data analysis.
Meet our delegates at International Symposium on DEL in Zurich to learn on our approaches in selecting DEL-compatible building blocks and on our advances in intriguing designs of novel chemotypes >>>
In a recent JACS paper several academic groups collaborated on discovery of novel covalent inhibitors using a library of 993 acrylamides and chloroacetamides sourced from Enamine’s covalent fragment collection. The design was focusing on mild electrophiles that were supposed to overcome the selectivity challenge. The library was characterized by a new high-throughput thiol-reactivity assay and screened against 10 cysteine-containing proteins. Potent and unique primary hits have been found in the majority (7 out of 10) of cases.
Enamine and H. Lundbeck A/S (Lundbeck) announced the expansion of their research collaboration. Enamine will support Lundbeck’s in-house discovery chemistry competencies with three principal assets enabling Lundbeck to optimally identify and develop hit series in its multiple research programs. A large diverse library of 100 000 new screening compounds was done for hit finding activities on numerous therapeutic targets. Enamine’s make-on-demand REAL compounds are for efficient access to billions of novel chemical compounds. Enamine FTE increased dedicated team of chemists to effectively support Lundbeck on all hit related follow-up activities backed by immediate access to over 170 000 building blocks in Enamine’s inventory.
EU-funded project PELICO, under Enamine’s coordination, reports promising results in synthesis of peptides, their pharmacokinetic and toxicity studies, and coupling with photo-controlled building blocks to yield new photo-controlled peptidomimetics.
Enamine's chemists and biologists from Bienta just published an article in ACS Comb. Sci. describing design and synthesis of a new sulfonyl-fluoride-based covalent fragment library. The library was validated by screening against a model protease, trypsin, and some fragment hits were identified. See ACS website for more details.
