Focused On-demand Library for Agouti-signaling protein

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible mechanisms of action.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises 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.