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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.