Focused On-demand Library for Coronin-1A

Focused On-demand Libraries - Reaxense 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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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.