Focused On-demand Library for AP-4 complex subunit epsilon-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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q9UPM8

UPID:

AP4E1_HUMAN

Alternative names:

AP-4 adaptor complex subunit epsilon; Adaptor-related protein complex 4 subunit epsilon-1; Epsilon subunit of AP-4; Epsilon-adaptin

Alternative UPACC:

Q9UPM8; A0AVD6; A1L4A9; A6NNX7; H0YKX4; Q68D31; Q9Y588

Background:

AP-4 complex subunit epsilon-1, known by alternative names such as AP-4 adaptor complex subunit epsilon and epsilon-adaptin, plays a crucial role in vesicular transport. It is a component of the adaptor protein complex 4 (AP-4), involved in forming vesicle coats and selecting cargo for transport. This protein is essential for the targeting of proteins from the trans-Golgi network (TGN) to the endosomal-lysosomal system, protein sorting to the basolateral membrane in epithelial cells, and the proper localization of somatodendritic proteins in neurons.

Therapeutic significance:

AP-4 complex subunit epsilon-1 is implicated in Spastic paraplegia 51 and familial persistent stuttering. Understanding its role could lead to novel therapeutic strategies for these neurodegenerative and speech disorders.