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.
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.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P23258
UPID:
TBG1_HUMAN
Alternative names:
Gamma-1-tubulin; Gamma-tubulin complex component 1
Alternative UPACC:
P23258; Q53X79; Q9BW59
Background:
The Tubulin gamma-1 chain, also known as Gamma-1-tubulin and Gamma-tubulin complex component 1, plays a pivotal role in cell division. It is a fundamental component of microtubules, crucial for forming the microtubule organizing centers (MTOC), including spindle poles and the centrosome. This protein is instrumental in regulating alpha/beta chain minus-end nucleation, centrosome duplication, and spindle formation, which are essential processes for cellular replication and health.
Therapeutic significance:
The Tubulin gamma-1 chain is linked to Cortical dysplasia, complex, with other brain malformations 4, a disorder characterized by early-onset seizures, microcephaly, and various cortical development malformations. Understanding the role of Tubulin gamma-1 chain could open doors to potential therapeutic strategies for this and related neurological conditions.