Focused On-demand Library for Pleckstrin homology domain-containing family M member 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.

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.

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.

Our top-notch dedicated system is used to design specialised 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.

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

Q9Y4G2

UPID:

PKHM1_HUMAN

Alternative names:

162 kDa adapter protein

Alternative UPACC:

Q9Y4G2; Q6P2R5; Q8TEL9; Q9NPP5; Q9NYA0

Background:

Pleckstrin homology domain-containing family M member 1, also known as the 162 kDa adapter protein, plays a pivotal role in cellular processes by acting as a multivalent adapter protein. It regulates Rab7-dependent and HOPS complex-dependent fusion events in the endolysosomal system, coupling autophagic and endocytic trafficking pathways. This protein is essential for the late stages of endolysosomal maturation, facilitating the degradation of growth factor receptors and autophagosome clearance. Additionally, it supports the integrity of the Salmonella-containing vacuole (SCV) during microbial infections.

Therapeutic significance:

Given its involvement in osteopetrosis, both autosomal recessive and dominant forms, understanding the role of Pleckstrin homology domain-containing family M member 1 could open doors to potential therapeutic strategies. Its function in bone resorption and regulation of endolysosomal maturation highlights its potential as a target for treating bone density disorders.