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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NEN9
UPID:
PDZD8_HUMAN
Alternative names:
Sarcoma antigen NY-SAR-84/NY-SAR-104
Alternative UPACC:
Q8NEN9; Q86WE0; Q86WE5; Q9UFF1
Background:
PDZ domain-containing protein 8, also known as Sarcoma antigen NY-SAR-84/NY-SAR-104, plays a pivotal role in cellular architecture by connecting endoplasmic reticulum and mitochondria membranes. This molecular tethering is crucial for Ca(2+) transfer between these organelles, impacting neuronal dendritic Ca(2+) dynamics and mitochondrial Ca(2+) uptake. Additionally, it indirectly influences cell morphology and cytoskeletal organization and may inhibit early stages of herpes simplex virus 1 infection.
Therapeutic significance:
Understanding the role of PDZ domain-containing protein 8 could open doors to potential therapeutic strategies for Intellectual developmental disorder with autism and dysmorphic facies, a neurodevelopmental disorder linked to gene variants affecting this protein.