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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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 utilise our cutting-edge, exclusive workflow to develop focused 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
Q7RTP6

UPID:
MICA3_HUMAN

ALTERNATIVE NAMES:
Molecule interacting with CasL protein 3

ALTERNATIVE UPACC:
Q7RTP6; B2RXJ5; E9PEF0; O94909; Q5U4P4; Q6ICK4; Q96DF2; Q9P2I3

BACKGROUND:
The protein [F-actin]-monooxygenase MICAL3, alternatively known as Molecule interacting with CasL protein 3, is integral to cellular structure and function. It orchestrates the depolymerization of F-actin by oxidizing methionine residues, leading to actin filament disassembly. This activity is vital for preventing actin repolymerization. MICAL3 also exhibits NADPH oxidase activity, generating H(2)O(2) in the absence of actin. Its role as a Rab effector protein underscores its importance in vesicle trafficking, including exocytic vesicles' tethering and fusion. Furthermore, MICAL3 is essential for cytokinesis, contributing to the intercellular bridge's stabilization and maturation, and facilitates the recruitment of Rab8 and ERC1, highlighting its multifaceted biological significance.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of [F-actin]-monooxygenase MICAL3 could open doors to potential therapeutic strategies.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.