Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


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
Receptor.AI
 
UPACC
Q96JB6

UPID:
LOXL4_HUMAN

ALTERNATIVE NAMES:
Lysyl oxidase-like protein 4; Lysyl oxidase-related protein C

ALTERNATIVE UPACC:
Q96JB6; Q5W0B3; Q96DY1; Q96PC0; Q9H6T5

BACKGROUND:
The protein Lysyl oxidase homolog 4, with alternative names such as Lysyl oxidase-like protein 4 and Lysyl oxidase-related protein C, is instrumental in extracellular matrix formation. By modulating collagen deposition, it plays a vital role in tissue integrity and repair mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Lysyl oxidase homolog 4 offers a promising avenue for developing novel therapeutic approaches. Given its key role in the formation of the extracellular matrix, targeting this protein could lead to breakthroughs in treating fibrotic diseases and enhancing tissue regeneration.

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