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 employ our advanced, specialised process to create targeted 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
Q8NB59
UPID:
SYT14_HUMAN
Alternative names:
Synaptotagmin XIV
Alternative UPACC:
Q8NB59; B1AJU0; B1AJU1; F5H426; Q5THX7; Q707N3; Q707N4; Q707N5; Q707N6; Q707N7
Background:
Synaptotagmin-14, also known as Synaptotagmin XIV, plays a crucial role in the trafficking and exocytosis of secretory vesicles in non-neuronal tissues, operating independently of Ca(2+). This protein's unique function is pivotal in cellular communication and the release of secretory substances.
Therapeutic significance:
Spinocerebellar ataxia, autosomal recessive, 11 (SCAR11) is directly linked to mutations affecting Synaptotagmin-14. This connection highlights the protein's significant role in neurological disorders, specifically those involving cerebellar degeneration and psychomotor retardation. Understanding the role of Synaptotagmin-14 could open doors to potential therapeutic strategies for SCAR11.