openPR Logo
Press release

Enamine Ltd. Released Coronavirus Library to Support COVID-19 Research Programs

09-16-2020 08:18 AM CET | Science & Education

Press release from: Enamine Ltd

Enamine Ltd. Released Coronavirus Library to Support COVID-19

A preplated library of 16800 compounds designed for the discovery of new SARS-CoV-2 and pan-Coronavirus antivirals
KIEV, Ukraine --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 unprecedented biotech race is now on to design cures for COVID-19 and to curb the crisis until a reliable vaccine is available and widely adopted. While most of the efforts are focused on drug repurposing strategies, the discovery of novel molecules is essential for achieving sufficient specificity and efficacy towards the new SARS-CoV-2 virus.
To meet the urgent need for potent new antivirals against COVID-19, Enamine has designed and preplated a small-molecule compound library focusing on SARS-CoV important targets, available for quick delivery to any screening drug discovery labs:
- SARS-CoV-2 main protease Mpro (also called 3CLpro)
- RNA-dependent RNA polymerase (RdRp)
- Papain-like protease (PLpro)
- Angiotensin-converting enzyme 2 (ACE2) receptor
- Type-II transmembrane serine protease (TMPRSS2)
- Non-structual proteins (NSP) of SARS-CoV-2, with reported 3D-struture.
The docking models were validated by short MD simulations and verified then by ability to form complexes with reported active molecules. For cysteine and serine proteases (Mpro and TMPRSS2) covalent docking has been carried out to identify promising covalent binders, which can elongate inhibition action. The databases of screening compounds were preliminary filtered to contain only compounds with specific warheads that are selective to each amino acid:

Mpro focused Covalent sublibrary: 2 640 compounds (acrylamides, chloroacetamides, vinyl sulfones and beta-lactams)
TMPRSS2 focused Covalent sublibrary: 560 compounds (sulfonyl fluorides, N-nitriles, chloroacetamides, epoxides, boronics)
The Coronavirus Library consists of 7 sublibraries, which can be acquired independently if desired. All other target-focused sublibraries passed stringent MedChem filters, including PAINS and Molecular Parameters restrictions to represent mainly lead-like space. The hits derived from the Corona Library can be easily followed with analogs and growing strategy to maximize MedChem variability within the structure.
Michael Bossert, Head of Strategic Alliances at Enamine, commented: “At the time when SARS-CoV-2 started its spread, international research solidarity emerged rapidly with several contributions from various players announced around the globe. At Enamine we were prompt to act too. Our scientists came more recently with this small library of high-quality compounds, which is aimed to serve as a strong basis to potentially identify interesting hit molecules for drug discovery programs initiation that might be further developed into medicines by our broad network of drug hunters. Enamine hit follow-up early discovery chemistry and pre-clinical biology services are with such library fully accessible each time when needed, being services deployed within COVID Moonshot and among other research collaborations not limited to antivirals.”
For further information on the Coronavirus Library: https://enamine.net/hit-finding/focused-libraries/coronavirus-library?utm_source=OpenPR&utm_medium=PR&utm_campaign=CovidLib

Enamine Ltd.
78 Chervonotkatska St.
02094 Kyiv, Ukraine
Andrii Buvailo,
Head of Digital Marketing:
+38 066 047 75 87
a.buvailo@enamine.net

Enamine Ltd. (est. 1991), a scientifically driven fully integrated service company, possesses the World’s largest and most reputed stock collections of Building Blocks (225,000) and Screening compounds (2.7 Million) and offers extensive portfolio of carefully designed Fragment Libraries, Discovery Diversity sets and Targeted Libraries. Enamine provides expertise in advanced organic synthesis, library synthesis, medicinal chemistry, HTS and pre-clinical biology to support research and development programs in life sciences and industries worldwide. For more information about Enamine, please visit https://www.enamine.net/?utm_source=OpenPR&utm_medium=PR&utm_campaign=CovidLib

This release was published on openPR.

Permanent link to this press release:

Copy
Please set a link in the press area of your homepage to this press release on openPR. openPR disclaims liability for any content contained in this release.

You can edit or delete your press release Enamine Ltd. Released Coronavirus Library to Support COVID-19 Research Programs here

News-ID: 2134794 • Views: 204

More Releases from Enamine Ltd

Enamine and Chemspace collaborate with Blue Dolphin Lead Discovery to expand Dru …
Kyiv, Ukraine and San Francisco, USA, 5 May, 2020. 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 feefor-service virtual screening, announced the launch of the collaboration to support drug discovery projects. The collaboration will include participation in the joint projects related
Enamine to be the exclusive supplier of Astex's MiniFrag Library
Enamine Ltd., a premier supplier of Building Blocks, Fragments and Screening Compounds, and Astex Pharmaceuticals (UK), a prominent biotech company focused on discovery and development of innovative medicines targeting cancer and CNS disorders, have cooperated to provide wide access to Astex's MiniFrag library, an efficient Fragment-based Drug Discovery tool for identification of hot and warm spots of protein targets. The concept recently proposed by Astex (O'Reilly, Drug Discovery Today, 2019
Cyclica Collaborates With Enamine to Use REAL Technology in Its Ligand Design Pl …
TORONTO & KYIV, UKRAINE. Cyclica, Inc. announced a collaboration with Enamine Ltd., the world’s largest chemical supplier, to explore its huge readily accessible chemical space using Cyclica’s state-of-the-art AI-driven Ligand DesignTM 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 DesignTM to

All 4 Releases


More Releases for Corona

FREE CORONA 10 LB WEIGHT LOSS
KETOCATIE is recognized on a global level as the world's premier authority on weight loss and eating disorders. Known as the the most expensive concierge Couture Weight Loss Expert, Catie is often found helping celebrities in Beverly Hills. Something good should come from the Corona crisis, right? That something lies in the fact we can now all have access to KetoCaties' years of experience. Catie states: "As the quarantine took over
Proton Motor's production site remains free from Corona
Puchheim near Munich, April 15, 2020 - The Bavarian hydrogen fuel cell specialist Proton Motor Fuel Cell GmbH's (www.proton-motor.de) production facility remains fully operational in spite of governmental restrictions that have been in place since mid-March: ,,So far, we have not had a single case amongst the staff related to the virus pandemic. Therefore, our plans for growth and development continue to be implemented during the Corona-crisis, with the safety
Corona Camera Market, Share, Development forecast to 2024
New report published by Global Info Research which offers insights on the Global Corona Camera market. Click to view the full report TOC, figure and tables: https://www.globalinforesearch.com/global-coronacamera-market_p100002.html Global Corona Camera Market: Forecast by Type / Application / Region The worldwide market for Corona Camera is expected to grow at a CAGR of roughly x% over the next five years, will reach x million US$ in 2023, from x million US$ in 2017, according to a new
Global Weiss Beer Market 2019 - Stella, Corona, Hite, Beck's
Weiss Beer is made from a mix of malted barley and wheat, with the wheat usually composing at least half of the mash and fermented with different strains of yeast than used with regular beer. Scope of the Report: The worldwide market for Weiss Beer is expected to grow at a CAGR of roughly xx% over the next five years, will reach xx million US$ in 2024, from xx million US$
Global Dark Beer Market 2019 - Heineken, Coors, Stella, Corona
Dark Beer is probably the longest continuously brewed beer style in the world, with its known ancestors close to three millennia in age and with definitive origins in the modern brewing cradle. Scope of the Report: The worldwide market for Dark Beer is expected to grow at a CAGR of roughly xx% over the next five years, will reach xx million US$ in 2024, from xx million US$ in 2019. This report focuses
Global Pilsner Market 2019 - Stella, Corona, Hite, Beck's, Miller
Pilsners originated in the Czech Republic when it was a part of the German-speaking Austrian Empire. They tend to be light in color, ranging from light straw to golden, depending on the specific brew you’re sipping on. Scope of the Report: The worldwide market for Pilsner is expected to grow at a CAGR of roughly xx% over the next five years, will reach xx million US$ in 2024, from xx million