Focused On-demand Library for P protein

Focused On-demand Libraries - Reaxense 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Reaxense

upacc

Q04671

UPID:

P_HUMAN

Alternative names:

Melanocyte-specific transporter protein; Pink-eyed dilution protein homolog

Alternative UPACC:

Q04671; Q15211; Q15212; Q96EN1; Q9UMI5

Background:

The P protein, also known as Melanocyte-specific transporter protein or Pink-eyed dilution protein homolog, plays a crucial role in melanogenesis. It contributes to a melanosome-specific anion current, modulating melanosomal pH for optimal tyrosinase activity, essential for melanin synthesis and melanosome maturation. This protein is a key determinant in the variation of skin and eye color across different ethnicities.

Therapeutic significance:

Given its pivotal role in melanogenesis, the P protein's dysfunction is linked to Albinism, oculocutaneous, 2, a disorder characterized by reduced melanin in skin, hair, and eyes. Understanding the role of P protein could open doors to potential therapeutic strategies for treating pigmentary disorders.