Focused On-demand Library for Ly6/PLAUR domain-containing protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q8N2G4

UPID:

LYPD1_HUMAN

Alternative names:

Putative HeLa tumor suppressor

Alternative UPACC:

Q8N2G4; H7BXW6; Q6ZP52; Q6ZWI4; Q96AC2

Background:

Ly6/PLAUR domain-containing protein 1, also known as Putative HeLa tumor suppressor, plays a crucial role in modulating nicotinic acetylcholine receptors (nAChRs) activity. It is known to increase receptor desensitization and decrease affinity for ACh in alpha-4:beta-2-containing nAChRs. This protein is also implicated in the intracellular trafficking of alpha-4:beta-2 and alpha-7-containing nAChRs, potentially inhibiting their cell surface expression.

Therapeutic significance:

Understanding the role of Ly6/PLAUR domain-containing protein 1 could open doors to potential therapeutic strategies, particularly in modulating nAChRs activity, which is crucial for developing treatments for neurological disorders and controlling anxiety.