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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.