Fragment-Based Drug Discovery — Hitting Targets Using the Right Chemistry and Expertise Alliances

Life Sciences, Drug Discovery & Development, Preclinical,
  • Thursday, October 13, 2022

Fragment Based Drug Discovery (FBDD) has become of increasing importance and interest in the past decade for hit finding and optimization. FBDD led to approved therapeutics and numerous drug candidates. It has empowered the industry to address targets that had previously been deemed “undruggable”.

FBDD uses the advantages of biophysical, biostructural and biochemical methods for the detection of low molecular weight molecules, so-called “fragments”, that bind to a target. FBDD exhibits several advantages over high-throughput screening campaigns in terms of cost, chemical diversity, and broader sampling for potential follow-up compounds.

Numerous case studies of covalent and non-covalent screening fragment strategies have led to successful applications in druggability assessment of protein. In this talk, experts in the field of FBDD will present case studies and potential of a spectrum of cutting-edge strategies for a successful hit identification and optimization campaigns.

In addition, Dr Nir London (Weizmann Institute of Science, Israel) will present how electrophilic fragment screening can accelerate the discovery of a new generation of covalent probes for challenging targets. Here he will describe application of this method for the discovery of the first in-vivo active chemical probe for the proline isomerase Pin1, as well as against the SARS-CoV-2 main protease.

Key expertise will be presented by the following discovery partners:

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  • 2bind offers the perfect service package for all project types and scientific questions. From the ultra-comprehensive analysis of a single molecular interaction with various different technologies (MicroScale Thermophoresis (MST), nano-scale Differential Scanning Fluorimetry (nanoDSF), Dynamic Light Scattering (DLS), Biolayer Interferometry (BLI), Grating Coupled Interferometry (GCI), SEC MALS, Isothermal Titration Calorimetry (ITC), and the switchSENSE technology). In Fragment Based Drug Discovery, 2bind supports customers with fragment libraries, hit identification, hit validation and supporting biophysical assays for SAR and medicinal chemistry fragment optimization.
  • CrystalsFirst provides most advanced structural biology platform to unlock chemical matter to pharmaceutical and biotechnology companies in drug discovery. The company’s unique technology SmartSoak® stabilizes protein crystals for X-ray crystallography and accelerates the access to high-quality co-structures up to 10X. The technology platform can be applied for non-covalent and covalent type of ligands. Integration of CrystalsFirst’s fragment evolution strategies facilitates the identification of active molecules in a time- and cost-efficient way. These unique capabilities offer a rational hit and lead identification strategy based on the “structural data first”.
  • Oncodesign — Expertise in Integrated Drug Discovery Services
    • Hit to lead optimization starting from identified fragments (medicinal chemistry, computational chemistry, biological assays, early ADME studies)
    • Lead optimization (Fully dedicated multidisciplinary team to identify preclinical drug candidate)

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Join this webinar to learn how fragment-based drug discovery solutions —such as DRIVE-SM — enable the identification, characterization, design and optimization of fragments into a preclinical drug candidate.

Speakers

http://Dr.%20Thomas%20Schubert,%202bind

Dr. Thomas Schubert, Managing Director, 2bind

Dr. Schubert is a Managing Director at 2Bind. After an education in biochemistry and biophysics resulting in a PhD, Dr. Schubert gained a degree in economy (Betriebswirt IWW). Dr. Schubert joined 2Bind in 2012 and was promoted to CEO in 2013. Together with Dr. Maximilian Plach he is now managing the company 2bind.

Message Presenter
http://Dr.%20Serghei%20Glinca,%20CrystalsFirst

Dr. Serghei Glinca, Founder & CEO, CrystalsFirst

Dr. Glinca is the Founder and CEO of CrystalsFirst. After graduating as a pharmacist, he obtained a PhD degree in molecular drug design and classification of proteins based on their structural data with Prof. Gerhard Klebe’s group. Dr. Glinca’s interest in application of structural data to accelerate drug design led to the spin-out, CrystalsFirst, from the Philipps-University Marburg.

Dr. Glinca also supports start-up communities and inspires scientists by sharing stories of successful biotech founders on the “founders in biotech” podcast.

Message Presenter

Dr. Nir London, President of the Med. Chem. Section of the Israel Chemical Society, Weizmann Institute

Dr. Nir London completed his PhD in computational structural biology at Hebrew University in 2012. He then pursued a post-doctoral fellowship with Brian Shoichet at UCSF where he developed a pioneering virtual screening platform for covalent inhibitor discovery. In 2015, Dr. London joined the Weizmann Institute of Science, where he is currently the Alan and Laraine Fischer Career Development Chair in the department of Chemical and Structural Biology. Dr. London’s lab is focused on covalent chemical biology and drug discovery and is developing new technologies to discover and functionalize covalently acting compounds. His honors include amongst others the Alon fellowship, the EFMC award for young medicinal chemist in academia, the ICBS award for young chemical biologist and the 2022 RSC Medicinal Chemistry Emerging Investigator Lectureship.

Message Presenter
http://Yann%20Lamotte,%20Oncodesign

Dr. Yann Lamotte, Chemistry Team Manager, Oncodesign Services

Dr. Yann Lamotte has over 20 years of drug discovery experience. He started his career at Sanofi Synthelabo and joined GSK in 1999 as a Research Scientist. He held several positions until the acquisition of the Ulis site by Oncodesign in 2016.

Dr. Yann Lamotte holds a PhD (2015) in organic chemistry from Pierre and Marie Curie University (Paris VI) completed under the supervision of Prof P. Karoyan. He is a named author on several patents and scientific papers.

Message Presenter

Who Should Attend?

This conference is suitable for scientists including:

  • Medicinal Chemists
  • Biologists
  • Biophysicists
  • Structural Biologists

with either existing experience of fragments or wanting to learn about this exciting approach to drug discovery.

What You Will Learn

Join this webinar to learn about:

  • An introduction to the alliance of experts in biophysics, crystallography and medicinal chemistry
  • Innovations from fragment identification to lead optimization stage to identify preclinical drug candidates
  • Use of covalent fragment screening to target cysteine and find quality leads
  • Covalent binding allows targeting traditionally challenging targets

Xtalks Partners

Oncodesign Services

Oncodesign Services is a biopharmaceutical company dedicated to precision medicine, founded in 1995 by its current CEO and majority shareholder, and has been listed on Euronext Growth Market since April 2014. Its mission is the discovery of effective therapies to fight cancer and other diseases without therapeutic solutions. With its unique experience acquired by working with more than 1000 clients, including the world’s largest pharmaceutical companies, along with its unique technological platform combining artificial intelligence, state-of-the-art medicinal chemistry, pharmacology, regulated bioanalysis and medical imaging, Oncodesign Services is able to select new therapeutic targets, as well as design and develop potential preclinical candidates through to clinical phases.

Oncodesign Services has configured its organization to offer innovative services to its customers and to license its proprietary molecules. Applied to kinase inhibitors, which represent a market estimated at over $65 billion by 2027 and accounting for almost 25% of the pharmaceutical industry’s R&D expenditure, Oncodesign Services’ technology has already enabled the targeting of several promising molecules with substantial therapeutic potential, in oncology and elsewhere, along with partnerships with global pharmaceutical groups. Oncodesign Services is based in Dijon, France, in the heart of the town’s university and hospital hub, and within the Paris-Saclay cluster. Oncodesign Services has 230 employees within 3 Business Units (BU): Service, Biotech, Artificial Intelligence and subsidiaries in Canada and the USA.

 

2bind GmbH

2bind is the expert contract research organization (CRO) for biophysical analytics. Since 2011 we have successfully completed over 1000 tasks in contract research projects with over 325 different customers from biotech, pharma, and academia.

We bring together passionate scientists from different life-science backgrounds to catalyze our clients’ research and development projects.

2bind serves customers/clients working or interested in protein- and RNA-based drug discovery, antibody development, protein analytics, aptamer development, or characterization of molecular interactions.

2bind offers the perfect service package for all project types and scientific questions. From the ultra-comprehensive analysis of a single molecular interaction with various different technologies to the high-throughput screening of thousands of molecular compounds and fragments. From competition assays to binding analyses in complex biological liquids such as serum, plasma, or cell lysate.

With essential and cutting-edge biophysical methods like MicroScale Thermophoresis (MST), nano-scale Differential Scanning Fluorimetry (nanoDSF), Dynamic Light Scattering (DLS), Biolayer Interferometry (BLI), Grating Coupled Interferometry (GCI), SEC MALS, Isothermal Titration Calorimetry (ITC), and the switchSENSE technology, 2bind can answer practically every question for binding affinity, kinetics, thermodynamics, stoichiometry as well as molecular parameters such as protein stability, unfolding, buffer optimum, radius, polydispersity index and many more.

In Fragment Based Drug Discovery, 2bind supports customers with fragment libraries, HIT ID, HIT validation and supporting biophysical assays for SAR and Medchem Fragment optimization.

 

CrystalsFirst

CrystalsFirst provides most advanced structural biology platform to unlock chemical matter in drug discovery.

The company’s unique technology SmartSoak® stabilizes protein crystals for X-ray crystallography and accelerates the access to high-quality co-structures up to 10X. The technology platform can be applied for non-covalent and covalent type of ligands. Integration of CrystalsFirst’s fragment evolution strategies facilitates the identification of active molecules in a time- and cost-efficient way. These unique capabilities offer a rational hit and lead identification based on the “structural data first” strategy.

CrystalsFirst has its labs and offices at the largest synchrotron facility in Germany – at the DESY campus in Hamburg. The company is a spin-out of the group of Prof. Gerhard Klebe from Philipps-University Marburg.

 

The Weizmann Institute of Science

The Weizmann Institute of Science is one of the world’s leading multidisciplinary basic research institutions in the natural and exact sciences. It is located in Rehovot, Israel, just south of Tel Aviv. It was initially established as the Daniel Sieff Institute in 1934, by Israel and Rebecca Sieff of London in memory of their son Daniel. In 1949, it was renamed for Dr. Chaim Weizmann, the first President of the State of Israel and Founder of the Institute.

 

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