Focused On-demand Library for Platelet-activating factor acetylhydrolase IB subunit beta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P43034

UPID:

LIS1_HUMAN

Alternative names:

Lissencephaly-1 protein; PAF acetylhydrolase 45 kDa subunit; PAF-AH alpha

Alternative UPACC:

P43034; B2R7Q7; Q8WZ88; Q8WZ89

Background:

The Platelet-activating factor acetylhydrolase IB subunit beta, also known as Lissencephaly-1 protein and PAF acetylhydrolase 45 kDa subunit, plays a pivotal role in brain development. It is essential for the proliferation of neuronal precursors and the migration of neurons, facilitating processes such as nucleokinesis and dynein-mediated microtubule sliding. This protein's functions extend to maintaining Golgi integrity and supporting cell locomotion, including fibroblast migration during wound healing.

Therapeutic significance:

Given its critical role in neuronal migration and brain development, mutations affecting this protein are linked to severe neurological disorders such as Lissencephaly 1, Subcortical band heterotopia, and Miller-Dieker lissencephaly syndrome. Understanding the role of Platelet-activating factor acetylhydrolase IB subunit beta could open doors to potential therapeutic strategies for these conditions.