Focused On-demand Library for Neuroligin-1

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q8N2Q7

UPID:

NLGN1_HUMAN

Alternative names:

Alternative UPACC:

Q8N2Q7; D2X2H5; Q9UPT2

Background:

Neuroligin-1, encoded by the gene with accession number Q8N2Q7, is a pivotal cell surface protein that facilitates cell-cell interactions, particularly within the nervous system. It plays a crucial role in synapse function and synaptic signal transmission, primarily through its interactions with members of the neurexin family. This protein is instrumental in the clustering of synaptic proteins, potentially driving the initial formation of synapses and specifying excitatory synapses.

Therapeutic significance:

Given its involvement in Autism 20, a developmental disorder marked by social and communication impairments, Neuroligin-1 represents a significant target for therapeutic intervention. Understanding the role of Neuroligin-1 could open doors to potential therapeutic strategies, offering hope for individuals with Autism 20 and related neurological conditions.