Focused On-demand Library for Whirlin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.