Focused On-demand Library for Polyglutamylase complex subunit TTLL1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

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

O95922

UPID:

TTLL1_HUMAN

Alternative names:

Tubulin polyglutamylase TTLL1; Tubulin polyglutamylase complex subunit 3; Tubulin--tyrosine ligase-like protein 1

Alternative UPACC:

O95922; B2RDS7; Q9BR27; Q9NRS9; Q9UMU0

Background:

Polyglutamylase complex subunit TTLL1, also known as Tubulin polyglutamylase TTLL1, plays a pivotal role in modifying tubulin by adding glutamate side chains, crucial for tubulin's function in cellular structure and movement. This protein is integral to the formation and motility of cilia and flagella, impacting respiratory function and male fertility. It uniquely requires a complex with other proteins for its catalytic activity, highlighting its specialized function in cellular mechanisms.

Therapeutic significance:

Understanding the role of Polyglutamylase complex subunit TTLL1 could open doors to potential therapeutic strategies, particularly in addressing male infertility and respiratory conditions by targeting the biogenesis and function of cilia and flagella.