Focused On-demand Library for BLOC-3 complex member HPS4

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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9NQG7

UPID:

HPS4_HUMAN

Alternative names:

Hermansky-Pudlak syndrome 4 protein; Light-ear protein homolog

Alternative UPACC:

Q9NQG7; B1AHQ4; Q5H8V6; Q96LX6; Q9BY93; Q9UH37; Q9UH38

Background:

The BLOC-3 complex member HPS4, also known as Hermansky-Pudlak syndrome 4 protein or Light-ear protein homolog, plays a pivotal role in the BLOC-3 complex. This complex acts as a guanine exchange factor for RAB32 and RAB38, facilitating the conversion from an inactive GDP-bound form to an active GTP-bound form. It is crucial in melanin production and melanosome biogenesis, promoting membrane localization of RAB32 and RAB38.

Therapeutic significance:

HPS4 is directly implicated in Hermansky-Pudlak syndrome 4, a disorder characterized by oculocutaneous albinism, bleeding due to platelet storage pool deficiency, and lysosomal storage defects. Understanding the role of HPS4 could open doors to potential therapeutic strategies for this syndrome, particularly in addressing pulmonary fibrosis, a leading cause of premature death.