Focused On-demand Library for Whirlin

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.

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.

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

Q9P202

UPID:

WHRN_HUMAN

Alternative names:

Autosomal recessive deafness type 31 protein

Alternative UPACC:

Q9P202; A0A0C4DFT9; A5PKU1; A5PKZ9; Q5TAU9; Q5TAV0; Q5TAV1; Q5TAV2; Q96MZ9; Q9H9F4; Q9UFZ3

Background:

Whirlin, known as Autosomal recessive deafness type 31 protein, plays a crucial role in hearing and vision. It is a key component of the USH2 complex, essential for the elongation and maintenance of inner and outer hair cell stereocilia in the inner ear's organ of Corti. Additionally, Whirlin is vital for the maintenance of the hair bundle ankle region in cochlear hair cells and supports the periciliary membrane complex in retina photoreceptors, regulating intracellular protein transport.

Therapeutic significance:

Whirlin's involvement in Deafness, autosomal recessive, 31, and Usher syndrome 2D, both of which affect hearing and vision, underscores its therapeutic potential. Targeting Whirlin could lead to innovative treatments for these conditions, emphasizing the importance of understanding its biological functions.