Focused On-demand Library for Tubulin polyglutamylase TTLL11

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q8NHH1

UPID:

TTL11_HUMAN

Alternative names:

Tubulin--tyrosine ligase-like protein 11

Alternative UPACC:

Q8NHH1; F8W6M1

Background:

Tubulin polyglutamylase TTLL11, also known as Tubulin--tyrosine ligase-like protein 11, plays a crucial role in modifying tubulin. This enzyme catalyzes the addition of polyglutamate side chains to the C-terminal tail of tubulin, a process essential for microtubule function. TTLL11 shows a preference for elongating existing polyglutamate chains on alpha-tubulin over initiating new chains or modifying beta-tubulin. Its activity is vital for the proper localization of CCSAP on microtubules in both spindle and cilia, and it supports spastin-mediated microtubule severing.

Therapeutic significance:

Understanding the role of Tubulin polyglutamylase TTLL11 could open doors to potential therapeutic strategies. Its involvement in microtubule function modulation suggests a possible link to neurodegenerative diseases and cancer, where microtubule dynamics are crucial.