Science Pool

RNA-Based Medicine: Expanding the Druggable Target Space to RNA

Posted by Evotec on Mar 29, 2022 1:10:45 PM

While the public has taken note of RNA-based medicine only with the advent of mRNA-based Corona virus vaccines, biopharmaceutical research and development has been working on mRNA-based medicine for almost two decades. Evotec also expanded the druggable target space to RNA and in the last years added considerable know-how in RNA-based medicine.

RNA is used by cells in multiple ways: mRNA is conveying genetic information from DNA to the ribosomes which also are made from RNA (ribosomal RNA), where another RNA species (tRNA) is transporting amino acids to the ribosomal apparatus so that a protein can be synthesized. In addition to mRNA, there are also shorter RNA molecules being used in the cell for the regulation of genes and entire genetic cascades.

This provides for plenty of potential interventions: antisense (ASO) and short interfering RNA (siRNA) can up or down regulate an RNA target, e.g., to block the translation of an unwanted or diseased protein or to suppress or stimulate the expression of genes. RNA can be targeted with (complementary) RNA, but it is also possible to alter or block the translation, re-locate or initiate RNA, degradation, etc. by small molecules interfering with the three-dimensional structure of RNAs or protein-RNA-complexes.

During our recent Innovation Week, Evotec experts Steffen Grimm, Group Leader, Hit ID & Biophysics, and Hilary Brooks, Senior Research Scientist, In Vitro Pharmacology, hosted a session called "The early bird catches the helix: Expanding the druggable target space to RNA".

In the session, they discussed how to:

  • Expand the potential for drugs targeting RNA to offer alternative solutions for diseases with otherwise undrugged targets
  • Target RNA providing highly specific solutions for protein removal, alternative splicing or pathway regulation via noncoding RNA
  • Use the small molecule RNA targeting platform to contribute to new opportunities for target identification and validation

RNA as Therapeutics
Using RNA as therapeutics is not trivial. Nucleic acids introduced from outside may trigger adverse reactions by the innate immune system. A lot of knowledge is necessary to ensure delivery, avoid degradation and inflammation and to fine-tune the stability and function of the molecules. RNA may also have off-target effects. To ensure efficacy and safety, monitoring these early on needs to be incorporated into the developmental workflow. High quality synthetic RNA is costly to make, therefore a scaleable process and the relevant analytics must be established early in the process to accompany both the discovery and development stages of research with quality test material; Eventually producing GMP grade RNA at a commercial scale (several hundred grams) for human administration.

Evotec already has integrated all capabilities under one roof, allowing for the complete preclinical data set, reduced transition times and efficient communication to the regulators. For antisense oligonucleotide therapy, efficient hit sequences that knock down target expression can be selected in a matter of weeks. Toxicity profiling is a priority to establishing final leads and, subsequently, project-specific dose, duration and delivery will be established using optimized backbone chemistry. Using its in-silico capabilities as well as iPSCs, animal models, transcriptomics, etc. Evotec is able to predict toxicity and efficacy, and de-risk unwanted immune stimulation as well as off-target effects. For manufacturing, Evotec is discovery-capable and already building medium-scale capacity (up to 50g) which will be ready by 2023.

For inhibiting the translational machinery, Evotec has established an RNA small molecule targeting platform and established in various case studies, molecules binding to RNA, and demonstrating a significant effect in vitro without affecting cell viability. Evotec’s capabilities also allow the creation of a representation of the 3-dimensional structure of the target complex and its interaction with the compounds.

Evotec’s experienced team of scientists with proven drug discovery and development expertise already have a track record of driving RNA targeting projects forward. Its integrated medicinal and computational chemistry capabilities, combined with bioinformatics, structural biology, pharmacology, and drug safety expertise allows for the identification and characterization of RNA target species and their modulation by different modalities. Partner projects can be driven all the way from target identification to IND and beyond. Evotec therefore is a low-risk outsourcing partner and a company continually investing in its platform to the benefit of the customer.

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Tags: Oncology, Blog, Videos & Webinars, Hit & Target ID/Validation, In vitro Biology, IND Enabling Studies/Preclinical Development, In vivo Pharmacology

Identification of β-Lactams Active Against Mycobacterium Tuberculosis

Posted by Evotec on Mar 10, 2022 7:02:39 PM

Rising antimicrobial resistance challenges our ability to combat bacterial infections. The problem is acute for tuberculosis (TB), the leading cause of death from infection before COVID-19.

Here, we developed a framework for multiple pharmaceutical companies to share proprietary information and compounds with multiple laboratories in the academic and government sectors for a broad examination of the ability of β-lactams to kill Mycobacterium tuberculosis (Mtb). In the TB Drug Accelerator (TBDA), a consortium organized by the Bill & Melinda Gates Foundation, individual pharmaceutical companies collaborate with academic screening laboratories.

  • In this paper we describe strategies used to prioritize thousands of β-lactams from multiple companies into a small test set for further characterization.
  • In a striking contrast to historical expectation, 18% of β-lactams screened were active against Mtb, many without a β-lactamase inhibitor.
  • One potent cephaloporin was active in Mtb-infected mice.
The steps outlined here can serve as a blueprint for multiparty, intra- and intersector collaboration in the development of anti-infective agents.

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Tags: Articles & Whitepapers, Hit & Target ID/Validation, Anti-Infectives

BSL3 High Throughput Screening Capabilities Fact Sheet

Posted by Evotec on Mar 8, 2022 5:05:24 PM

With more then 15 years of screening experience in anti-infectives, including antibacterials and antivirals, Evotec's medium throughput and high throughput screening expertise extends to BSL2+ and BSL3 containment level. 

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Tags: Fact Sheets, Hit & Target ID/Validation, Anti-Infectives

User Friendly Quantum Mechanics and Applications in Drug Discovery

Posted by Evotec on Nov 26, 2021 3:56:46 PM

This article forms a book chapter in Quantum Mechanics In Drug Discovery which is part of the Methods in Molecular Biology book series.

In this article, we discuss the use of quantum mechanics in understanding receptor-ligand interactions and chemical reactions.

The chapter includes:

  • an overview of the use of quantum mechanics methods in drug design and drug discovery
  • presentation of the most popular quantum mechanics methods and software packages
  • discussion of recent representative applications in drug design and drug discovery

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Tags: Articles & Whitepapers, Hit & Target ID/Validation

Real Life Drug Design Cases using AI, Machine Learning, and Deep Learning

Posted by Evotec on Nov 26, 2021 1:09:43 PM

This article forms a book chapter in Artificial Intelligence in Drug Design.

In this review article, we discuss the use of artificial intelligence, machine learning, and deep learning in computational drug discovery.

The chapter includes:

  • an overview of the current state-of-the-art artificial intelligence methods which are applied in drug discovery
  • a focus on structure-based and ligand-based virtual screening, library design and high throughput analysis
  • further discussion on drug repurposing, de novo design, chemical reactions and synthetic accessibility, ADMET and quantum mechanics
  • real life drug design case studies

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Tags: Articles & Whitepapers, Hit & Target ID/Validation

Computational Chemistry and Deep Learning

Posted by Evotec on Nov 26, 2021 12:46:27 PM

This article forms a book chapter in Artificial Intelligence in Drug Design.

In this review article, we discuss artificial intelligence and deep learning, and its application in computational chemistry.

The chapter includes:

  • a comparison of deep learning and other machine learning approaches
  • the advantages of deep learning including the facile incorporation of multitask learning and the enhancement of generative modelling
  • the impact of deep learning on computational chemistry

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Tags: Articles & Whitepapers, Hit & Target ID/Validation

The Fight against COVID-19 with Artificial Intelligence

Posted by Evotec on Nov 26, 2021 12:29:35 PM

This article forms a book chapter in Artificial Intelligence in Drug Design.

In this review article, we provide the latest insights into fighting COVID-19 with technologies such as artificial intelligence.

It includes:

  • an overview of the ongoing demand for efficacious drugs to treat potential vaccine-resistant COVID-19 variants in the future
  • how identifying and repurposing marketed drugs for the treatment of COVID-19 plays an important role in this process 
  • how artificial intelligence can be employed to speed up the drug discovery process by facilitating the selection of potential drug candidates as well as monitoring the pandemic and enabling faster diagnosis in patients
  • a focus on the impact and challenges associated with artificial intelligence for drug repurposing of therapies for the treatment of COVD-19

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Tags: Articles & Whitepapers, Hit & Target ID/Validation, Anti-Infectives

Deep Learning Applied to Ligand-Based De Novo Drug Design

Posted by Evotec on Nov 11, 2021 1:50:06 PM

This article forms a book chapter in Artificial Intelligence in Drug Design.

In this review article, we provide the latest insights into de novo design approaches based on  artificial intelligence (AI) algorithms with a specific focus on ligand-based methods.

It includes:

  • a background to de novo design approaches developed prior to the use of AI
  • an overview of AI and commonly employed neural network architectures used in ligand based de novo design
  • a list of more than 100 deep generative models reported in the literature from 2017-2020
  • current applications of deep generative approaches in the drug discovery context
  • an insight into future applications of deep generative models in de novo drug design 

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Tags: Articles & Whitepapers, Hit & Target ID/Validation

Human iPSC-Derived Mixed CNS Cells Fact Sheet

Posted by Evotec on Jun 21, 2021 12:01:21 PM

Learn more about Human iPSC-Derived Mixed CNS Cells and their advantages including:

  • Highly physiological neural networks
  • Long term synchronous network activity
  • Suitable as seizure liability mode
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Tags: Neuroscience, Fact Sheets, Hit & Target ID/Validation, Biologics, In vitro Biology, Toxicology & Safety

Human iPSC-Derived Cardiomyocyte Fact Sheet

Posted by Evotec on Jun 21, 2021 12:00:42 PM

Learn more about the advantages of human iPSC-derived cardiomyocytes including:

  • Predictive and physiological cell model
  • Applicable for drug development, preclinical research, and cardiac safety assessment
  • Quantity, consistency and efficiency for HTS
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Tags: Fact Sheets, Hit & Target ID/Validation, Biologics, In vitro Biology, Toxicology & Safety