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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
P61266
UPID:
STX1B_HUMAN
Alternative names:
Syntaxin-1B1; Syntaxin-1B2
Alternative UPACC:
P61266; Q15531; Q2VPS2
Background:
Syntaxin-1B, with alternative names Syntaxin-1B1 and Syntaxin-1B2, plays a crucial role in the nervous system. It is potentially involved in the docking of synaptic vesicles at presynaptic active zones, facilitating neurotransmitter release. This protein may also mediate calcium-regulated exocytosis in sperm, suggesting a broad role in cellular communication.
Therapeutic significance:
Syntaxin-1B is linked to Generalized epilepsy with febrile seizures plus 9, a disorder characterized by early childhood seizures with potential for remission in later childhood. Understanding the role of Syntaxin-1B could open doors to potential therapeutic strategies for epilepsy and related neurological conditions.