Focused On-demand Libraries - Receptor.AI Collaboration


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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. 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 screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P0DP58

UPID:
LYNX1_HUMAN

ALTERNATIVE NAMES:
Endogenous prototoxin LYNX1; Testicular tissue protein Li 112

ALTERNATIVE UPACC:
P0DP58; A0A140VJN6; D3DWI7; G3XAC2; Q86SR0; Q9BZG9

BACKGROUND:
The protein Ly-6/neurotoxin-like protein 1, with alternative names Endogenous prototoxin LYNX1 and Testicular tissue protein Li 112, is pivotal in the regulation of nicotinic acetylcholine receptors (nAChRs). It modulates nAChR assembly, trafficking, and functional properties, playing a significant role in neural regulation.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Ly-6/neurotoxin-like protein 1 offers a pathway to novel therapeutic approaches. Its modulation of nAChRs highlights its potential in developing treatments for conditions related to neural excitability and neurodegeneration.

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