Focused On-demand Library for Prestin

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by 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 for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P58743

UPID:
S26A5_HUMAN

ALTERNATIVE NAMES:
Solute carrier family 26 member 5

ALTERNATIVE UPACC:
P58743; Q496J2; Q7Z7F3; Q86UF8; Q86UF9; Q86UG0

BACKGROUND:
The protein Prestin, also known as Solute carrier family 26 member 5, plays a critical role in the auditory system. It is responsible for the electromotility of outer hair cells (OHC), a process vital for the amplification of sound within the ear. Prestin achieves this through a sophisticated mechanism that involves the movement of a voltage sensor across the membrane, triggered by changes in the electric potential. This process is essential for the proper functioning of the hearing mechanism.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in hearing, Prestin's dysfunction is associated with autosomal recessive deafness 61. The exploration of Prestin's functions and mechanisms offers promising avenues for the development of novel therapeutic interventions for hearing loss.

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