Focused On-demand Library for Agouti-signaling 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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.

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

P42127

UPID:

ASIP_HUMAN

Alternative names:

Agouti switch protein

Alternative UPACC:

P42127; Q3SXL2

Background:

The Agouti-signaling protein, also known as Agouti switch protein, plays a pivotal role in melanogenesis regulation. It inhibits alpha-MSH signaling to MC1R, reducing eumelanogenesis and increasing pheomelanin synthesis. This protein's influence extends beyond pigmentation, potentially affecting neuroendocrine melanocortin action and lipid metabolism in adipocytes.

Therapeutic significance:

The Agouti-signaling protein's involvement in obesity and hypopigmentation, characterized by early-onset obesity, hyperinsulinemia, and skin hypopigmentation, underscores its therapeutic potential. The ITCH-ASIP transcript's role in disease pathogenesis, through ASIP ectopic overexpression, highlights the importance of targeting this protein in developing treatments for related metabolic and pigmentary disorders.