Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8N0W4
UPID:
NLGNX_HUMAN
Alternative names:
HNLX
Alternative UPACC:
Q8N0W4; Q6UX10; Q9ULG0
Background:
Neuroligin-4, X-linked (HNLX) is a pivotal cell surface protein, primarily facilitating cell-cell interactions through its binding with neurexin family members. This interaction is crucial for the formation and maintenance of synapses, the fundamental units of communication in the nervous system.
Therapeutic significance:
Given its association with Autism, X-linked 2, a developmental disorder marked by social and communication challenges, HNLX's study is vital. Understanding the role of Neuroligin-4, X-linked could open doors to potential therapeutic strategies, especially considering its link to cognitive functions and social behavior.