Focused On-demand Library for Tubulin monoglutamylase TTLL4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop 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.

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

Q14679

UPID:

TTLL4_HUMAN

Alternative names:

Protein monoglutamylase TTLL4; Tubulin--tyrosine ligase-like protein 4

Alternative UPACC:

Q14679; A8K6V5; Q8WW29

Background:

Tubulin monoglutamylase TTLL4, also known as Protein monoglutamylase TTLL4 and Tubulin--tyrosine ligase-like protein 4, plays a crucial role in cellular functions by modifying tubulin and non-tubulin proteins. It adds a single glutamate to specific residues, influencing processes like nucleosome assembly and antiviral defense by modifying proteins such as NAP1L1, NAP1L4, and CGAS. Its preference for beta-tail tubulin over alpha-tubulin highlights its specificity in protein modification.

Therapeutic significance:

Understanding the role of Tubulin monoglutamylase TTLL4 could open doors to potential therapeutic strategies, particularly in manipulating its activity to influence cell reprogramming, pluripotency maintenance, and embryogenesis.