Focused On-demand Library for Protein S100-A10

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

P60903

UPID:

S10AA_HUMAN

Alternative names:

Calpactin I light chain; Calpactin-1 light chain; Cellular ligand of annexin II; S100 calcium-binding protein A10; p10 protein; p11

Alternative UPACC:

P60903; A8K4V8; P08206; Q5T1C5

Background:

Protein S100-A10, known by various names such as Calpactin I light chain and p11, plays a crucial role in cellular processes through its ability to induce the dimerization of ANXA2/p36. This action suggests its involvement in regulating protein phosphorylation, with a specific focus on the ANXA2 monomer as a preferred target for tyrosine-specific kinase in vitro.

Therapeutic significance:

Understanding the role of Protein S100-A10 could open doors to potential therapeutic strategies. Its pivotal function in protein phosphorylation regulation highlights its importance in cellular signaling pathways, offering a promising avenue for drug discovery and development.