Focused On-demand Library for Telomerase reverse transcriptase

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.

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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O14746

UPID:

TERT_HUMAN

Alternative names:

HEST2; Telomerase catalytic subunit; Telomerase-associated protein 2

Alternative UPACC:

O14746; O14783; Q2XS35; Q8N6C3; Q8NG38; Q8NG46

Background:

Telomerase reverse transcriptase, known as HEST2 or Telomerase-associated protein 2, plays a pivotal role in cellular aging and tumorigenesis through its reverse transcriptase activity that elongates telomeres. This enzyme is crucial for the replication of chromosome ends in most eukaryotes, showing high activity in progenitor and cancer cells while remaining inactive in normal somatic cells.

Therapeutic significance:

Given its involvement in aplastic anemia, dyskeratosis congenita, pulmonary fibrosis, and melanoma, targeting Telomerase reverse transcriptase offers a promising avenue for treating these conditions. Its role in telomere maintenance and modulation of Wnt signaling underscores its potential as a therapeutic target in aging and cancer.