Focused On-demand Library for EH domain-containing protein 3

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of 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

Q9NZN3

UPID:

EHD3_HUMAN

Alternative names:

PAST homolog 3

Alternative UPACC:

Q9NZN3; B4DFR5; D6W574; Q8N514; Q9NZB3

Background:

EH domain-containing protein 3, also known as PAST homolog 3, is a pivotal ATP- and membrane-binding protein. It plays a crucial role in membrane reorganization and tubulation upon ATP hydrolysis, influencing endocytic transport and Golgi maintenance. Its interaction with phosphatidic acid triggers membrane tubulation activity, essential for protein transport between cellular compartments. This protein is also involved in the recycling of the D1 dopamine receptor and cardiac protein trafficking, impacting cardiac conduction and myocyte excitability.

Therapeutic significance:

Understanding the role of EH domain-containing protein 3 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes such as endocytic transport, Golgi maintenance, and cardiac protein trafficking highlights its potential as a target for therapeutic intervention in diseases related to these functions.