Focused On-demand Library for CST complex subunit CTC1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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.