Focused On-demand Library for Epidermal growth factor receptor substrate 15-like 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 use our state-of-the-art dedicated workflow for designing 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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q9UBC2

UPID:

EP15R_HUMAN

Alternative names:

Eps15-related protein

Alternative UPACC:

Q9UBC2; A2RRF3; A5PL29; B4DKA3

Background:

Epidermal growth factor receptor substrate 15-like 1, also known as Eps15-related protein, plays a pivotal role in receptor-mediated endocytosis. It is a constitutive component of clathrin-coated pits, essential for the internalization of key molecules such as integrin beta-1 and transferrin receptor. Its interaction with DAB2 is crucial for the endocytosis of ITGB1, highlighting its specificity in cargo selection.

Therapeutic significance:

Understanding the role of Epidermal growth factor receptor substrate 15-like 1 could open doors to potential therapeutic strategies. Its involvement in the precise control of receptor-mediated endocytosis positions it as a target for modulating cellular uptake processes, which could be beneficial in treating diseases where these pathways are dysregulated.