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.
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.
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.
Our high-tech, dedicated method is applied to construct 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
P78352
UPID:
DLG4_HUMAN
Alternative names:
Postsynaptic density protein 95; Synapse-associated protein 90
Alternative UPACC:
P78352; B7Z1S1; G5E939; Q92941; Q9UKK8
Background:
Disks large homolog 4 (DLG4), also known as Postsynaptic density protein 95 or Synapse-associated protein 90, is pivotal in synaptogenesis and synaptic plasticity. It facilitates the clustering of essential synaptic proteins, interacts with NMDA receptor subunits and potassium channels, and is crucial for NMDA receptor signaling-mediated synaptic plasticity. DLG4's role extends to regulating the intracellular trafficking of certain proteins and maintaining AMPA-type glutamate receptor activation at synaptic sites.
Therapeutic significance:
DLG4's mutation is linked to Intellectual developmental disorder, autosomal dominant 62, characterized by impaired intellectual development. Understanding DLG4's function could unveil novel therapeutic strategies for treating synaptic disorders and intellectual disabilities.