Focused On-demand Library for AP-3 complex subunit delta-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O14617

UPID:

AP3D1_HUMAN

Alternative names:

AP-3 complex subunit delta; Adaptor-related protein complex 3 subunit delta-1; Delta-adaptin

Alternative UPACC:

O14617; O00202; O75262; Q59HF5; Q96G11; Q9H3C6

Background:

The AP-3 complex subunit delta-1, also known as Adaptor-related protein complex 3 subunit delta-1 or Delta-adaptin, plays a crucial role in the trafficking of vesicles from the Golgi membrane, potentially directing them towards lysosomes. It is integral to the process of CD8+ T-cell and NK cell degranulation and works alongside the BLOC-1 complex to ensure proper cargo delivery into neurites and nerve terminals.

Therapeutic significance:

Given its involvement in Hermansky-Pudlak syndrome 10, a disorder characterized by albinism, neutropenia, and immunodeficiency, understanding the role of AP-3 complex subunit delta-1 could open doors to potential therapeutic strategies. Its function in vesicle trafficking and immune cell degranulation highlights its potential as a target for therapeutic intervention in related diseases.