Focused On-demand Library for Spectrin alpha chain, non-erythrocytic 1

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q13813

UPID:

SPTN1_HUMAN

Alternative names:

Alpha-II spectrin; Fodrin alpha chain; Spectrin, non-erythroid alpha subunit

Alternative UPACC:

Q13813; Q13186; Q15324; Q16606; Q59EF1; Q5VXV5; Q5VXV6; Q7Z6M5; Q9P0V0

Background:

Spectrin alpha chain, non-erythrocytic 1, also known as Alpha-II spectrin, Fodrin alpha chain, or Spectrin, non-erythroid alpha subunit, plays a crucial role in the cellular cytoskeleton's architecture. It interacts with calmodulin in a calcium-dependent manner, suggesting its involvement in the calcium-dependent movement of the cytoskeleton at the membrane.

Therapeutic significance:

The protein is linked to Developmental and epileptic encephalopathy 5, a severe disorder marked by seizures, intellectual disability, and spastic quadriplegia. This association highlights its potential as a target for therapeutic intervention in neurological disorders.