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.
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.
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
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9ULB1
UPID:
NRX1A_HUMAN
Alternative names:
Neurexin I-alpha; Neurexin-1-alpha
Alternative UPACC:
Q9ULB1; A7KRL9; O60323; Q53TJ9; Q53TQ1; Q5HYI0; Q9C079; Q9C080; Q9C081; Q9H3M2; Q9UDM6
Background:
Neurexin-1, also known as Neurexin I-alpha, plays a pivotal role in synaptic signal transmission, cell-cell interactions, and the regulation of calcium channel activity. Its involvement in the exocytosis of secretory granules and modulation of neurotransmitter release underscores its importance in neural communication and endocrine functions.
Therapeutic significance:
Given its association with Pitt-Hopkins-like syndrome 2 and Schizophrenia 17, Neurexin-1's study is crucial for understanding these neurological disorders. Targeting Neurexin-1 could lead to innovative treatments for these conditions, highlighting the protein's therapeutic potential.