Focused On-demand Library for BLOC-2 complex member HPS3

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

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

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

Q969F9

UPID:

HPS3_HUMAN

Alternative names:

Hermansky-Pudlak syndrome 3 protein

Alternative UPACC:

Q969F9; A8K6G6; Q8WTV6; Q96AP1; Q96MR3; Q9H608

Background:

The BLOC-2 complex member HPS3, also known as Hermansky-Pudlak syndrome 3 protein, plays a crucial role in the early stages of melanosome biogenesis and maturation. This protein is pivotal in the formation and function of various cytoplasmic organelles, including melanosomes, which are essential for pigment synthesis in melanocytes.

Therapeutic significance:

Hermansky-Pudlak syndrome 3, a disorder characterized by oculocutaneous albinism, bleeding due to platelet storage pool deficiency, and lysosomal storage defects, is directly linked to mutations in the HPS3 gene. Understanding the role of BLOC-2 complex member HPS3 could open doors to potential therapeutic strategies for this syndrome, particularly in addressing pulmonary fibrosis, a significant cause of morbidity.