Focused On-demand Library for Telomere length regulation protein TEL2 homolog

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.

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.

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.

We employ our advanced, specialised process to create targeted 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

Q9Y4R8

UPID:

TELO2_HUMAN

Alternative names:

Protein clk-2 homolog

Alternative UPACC:

Q9Y4R8; D3DU73; O75168; Q7LDV4; Q9BR21

Background:

The Telomere length regulation protein TEL2 homolog, also known as Protein clk-2 homolog, plays a pivotal role in the DNA damage response (DDR). It is a crucial component of the TTT complex, essential for stabilizing PIKK family proteins, thereby facilitating cellular resistance to DNA damage from ionizing radiation, ultraviolet light, and mitomycin C. Additionally, it aids in the proper folding of newly synthesized PIKKs through its interaction with the TTT complex and HSP90, and is instrumental in regulating the assembly, stability, and activity of mTORC1 and mTORC2 complexes, which are key regulators of cell growth and survival.

Therapeutic significance:

Given its involvement in You-Hoover-Fong syndrome, characterized by severe developmental delays, intellectual disability, and congenital heart disease, understanding the role of Telomere length regulation protein TEL2 homolog could pave the way for novel therapeutic strategies targeting this syndrome and potentially other related disorders.