Focused On-demand Library for Calpain-10

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

Q9HC96

UPID:

CAN10_HUMAN

Alternative names:

Calcium-activated neutral proteinase 10

Alternative UPACC:

Q9HC96; A8MVS7; Q4ZFV1; Q8NCD4; Q96IG4; Q96JI2; Q9HC89; Q9HC90; Q9HC91; Q9HC92; Q9HC93; Q9HC94; Q9HC95

Background:

Calpain-10, also known as Calcium-activated neutral proteinase 10, plays a pivotal role in cellular processes through its function as a calcium-regulated non-lysosomal thiol-protease. It is instrumental in cytoskeletal remodeling and signal transduction, potentially influencing insulin-stimulated glucose uptake.

Therapeutic significance:

Given its involvement in Type 2 diabetes mellitus 1, a condition marked by insulin resistance and metabolic syndrome, Calpain-10 emerges as a critical target for therapeutic intervention. Understanding its function could lead to novel treatments for managing diabetes and its associated complications.