Focused On-demand Library for CST complex subunit CTC1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q2NKJ3

UPID:

CTC1_HUMAN

Alternative names:

Conserved telomere maintenance component 1; HBV DNAPTP1-transactivated protein B

Alternative UPACC:

Q2NKJ3; B3KR66; C9JEX5; Q1PCD1; Q2TBE3; Q8N3S6; Q9H6L0

Background:

The CST complex subunit CTC1, also known as Conserved telomere maintenance component 1, plays a crucial role in DNA replication and telomere maintenance. It is part of the CST complex, which binds single-stranded DNA, protecting telomeres from degradation and participating in telomere length homeostasis. The CST complex also aids in the recovery from DNA damage and maintains genome stability.

Therapeutic significance:

CST complex subunit CTC1 is linked to Cerebroretinal microangiopathy with calcifications and cysts 1, a disorder causing neurological and extraneurological manifestations. Understanding the role of CST complex subunit CTC1 could open doors to potential therapeutic strategies for this and related diseases.