Dotmatics Chemically-Modified Therapeutics Solution

 

A rapidly emerging trend in drug discovery is the development of a diverse set of therapeutic types that share the trait of being a biologically-based molecule that has been altered in some way with direct chemical modification. The motivation for developing these novel therapeutics is to either access new areas of pharmacological space, or to access existing pharmacological space more effectively. A second motivation is to avoid some of the challenges of conventional biologic therapeutics, such as dosing methodologies, effective targeting, pharmacokinetics and immunogenicity.

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A diverse set of therapies creates data management challenges

Included in this definition are antibody-drug conjugates (ADCs), peptide-drug conjugates (PDCs), antisense oligonucleotides (asRNA), small interfering RNA (siRNA), modified RNA (modRNA), stapled peptides, and cyclic and bicyclic peptides. This is clearly a diverse set of molecules, varying greatly in size and composition, but the common feature of being chemically-modified creates significant challenges for most scientific informatics systems. These systems are built to handle either chemistry or biology data, but rarely can they manage both. This causes significant barriers for the cross-functional teams that typically work on developing these novel therapeutics.

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Data management challenges undermine project performance

Systems that support only chemistry or biology can’t capture the full scientific definition and information for chemically-modified therapeutics, undermining this research and weakening intellectual property (IP) protections. Collaborations between chemists and biologists are hindered, slowing project progress. In some cases, organizations will adopt two informatics systems, one for biology data and one for chemistry data. This is also sub-optimal because the fidelity of the entity definitions across the systems cannot be guaranteed. Data integration becomes difficult, again undermining IP protections, data quality and cross-functional team collaboration.

An enterprise solution for chemically-modified therapeutics

The Dotmatics solution for chemically-modified therapeutics provides the scientific rigor needed to completely capture the full detail of these entities and delivers the broad set of informatics capabilities to fully support your project goals. The Dotmatics Platform inherently understands both chemistry and biology, to ensure that project data is captured and managed by a single source of truth. This ensures that IP protection is maintained, data quality is at its highest, and cross-functional teams of scientists can collaborate efficiently and effectively.

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Dotmatics Bioregister

The core of the Dotmatics solution for chemically-modified therapeutics is Bioregister, our biological registration system that generates a full chemical representation of sequence-based entities, using InChI keys. Users can easily transition between sequence and molecular views, or simply use whatever makes most sense to them, as a chemist or a biologist. The full chemical representation is used for uniqueness checking, and chemistry-based searching can be performed. Bioregister also generates HELM notations for these entities, which is often useful for communicating with strategic partners. Bioregister can create implicit bioconjugation linkages based on “click chemistry", to streamline the definition and capture of ADCs and PDCs.

Broad capabilities support chemically-modified therapeutics

Supporting Bioregister, Dotmatics provides many other modules as part of the Platform. Studies Notebook, the Dotmatics Electronic Lab Notebook (ELN) is build to be flexible, allowing templates to be configured to support chemistry or biology-based workflows. If you’re doing more investigational experiments, those are supported too with a simple Discovery ELN template. Vortex, our advanced analysis and visualization application includes advanced algorithms for chemistry and biology analyses, and can display chemically modified therapeutics in either molecular or sequence format. And ultimately, Dotmatics Browser is the key tool allowing scientists of all types to search, browse and view their data, and make well-informed decisions that accelerate their research and innovation.

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