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 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 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:
partner
Reaxense
upacc
Q68EN5
UPID:
MACA1_HUMAN
Alternative names:
Microtubule-associated tyrosine carboxypeptidase
Alternative UPACC:
Q68EN5; A2VCS8; Q8N3H9; Q8NAQ5; Q96IE5
Background:
Microtubule-associated tyrosine carboxypeptidase 1, also known as a key regulator of microtubule dynamics, plays a pivotal role by removing the C-terminal tyrosine residue of alpha-tubulin. This enzymatic activity is crucial for the proper functioning of microtubules, influencing cell structure and transport. The protein's ability to recognize adjacent tubulin dimers enhances its specificity and importance in cellular processes.
Therapeutic significance:
Understanding the role of Microtubule-associated tyrosine carboxypeptidase 1 could open doors to potential therapeutic strategies. Its critical function in regulating microtubule dynamics positions it as a potential target for drug discovery, aiming to modulate cellular processes involved in various diseases.