Focused On-demand Library for Coronin-1A

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 employ our advanced, specialised process to create targeted 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 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
P31146

UPID:
COR1A_HUMAN

ALTERNATIVE NAMES:
Coronin-like protein A; Coronin-like protein p57; Tryptophan aspartate-containing coat protein

ALTERNATIVE UPACC:
P31146; B2RBL1; Q2YD73

BACKGROUND:
Coronin-1A, identified by its alternative names such as Coronin-like protein A and Tryptophan aspartate-containing coat protein, is integral to cell locomotion and immune defense mechanisms. It significantly contributes to the structural integrity of the cytoskeleton in highly motile cells and plays a role in preventing the fusion of phagosomes and lysosomes in cells infected with mycobacteria.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Coronin-1A could open doors to potential therapeutic strategies, especially considering its link to Immunodeficiency 8 with lymphoproliferation. This disease's connection to Coronin-1A highlights the protein's importance in developing treatments for immune-related conditions.

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