AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Coronin-1A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 sreening 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 is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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, also known as Coronin-like protein A, Coronin-like protein p57, and Tryptophan aspartate-containing coat protein, plays a pivotal role in cell motility and the immune response. Its involvement in the cytoskeleton's dynamics facilitates both membrane invagination and the formation of protrusions essential for cell movement. In the context of mycobacteria infection, Coronin-1A's retention on the phagosomal membrane is crucial for preventing the fusion of phagosomes and lysosomes.

Therapeutic significance:

The association of Coronin-1A with Immunodeficiency 8 with lymphoproliferation, a condition marked by recurrent infections and B-cell lymphoproliferation due to Epstein-Barr virus, underscores its therapeutic potential. Targeting Coronin-1A could lead to innovative treatments for immune system disorders.

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