Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q92796
UPID:
DLG3_HUMAN
Alternative names:
Neuroendocrine-DLG; Synapse-associated protein 102; XLMR
Alternative UPACC:
Q92796; B4E0H1; D3DVU5; Q5JUW6; Q5JUW7; Q9ULI8
Background:
Disks large homolog 3, also known as Neuroendocrine-DLG, Synapse-associated protein 102, and XLMR, plays a crucial role in synaptic plasticity following NMDA receptor signaling. This protein is essential for learning, indicating its significant function in the nervous system.
Therapeutic significance:
The protein is linked to Intellectual developmental disorder, X-linked 90, a condition marked by below-average intellectual functioning and impairments in adaptive behavior. Understanding the role of Disks large homolog 3 could open doors to potential therapeutic strategies for this disorder.