Focused On-demand Library for Ankyrin repeat and LEM domain-containing protein 2

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

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

Q86XL3

UPID:

ANKL2_HUMAN

Alternative names:

LEM domain-containing protein 4

Alternative UPACC:

Q86XL3; A8KAG3; B3KN97; B3KSF8; O75176; Q6P6A5; Q8TAZ9; Q96DH4

Background:

Ankyrin repeat and LEM domain-containing protein 2, also known as LEM domain-containing protein 4, plays a crucial role in mitotic nuclear envelope reassembly. It promotes dephosphorylation of BAF/BANF1 during mitotic exit, coordinating the control of BAF/BANF1 dephosphorylation by inhibiting VRK1 kinase and promoting dephosphorylation by protein phosphatase 2A (PP2A). This process is essential for nuclear envelope assembly. Additionally, it may regulate nuclear localization of VRK1 in non-dividing cells and is involved in brain development.

Therapeutic significance:

The protein's involvement in Microcephaly 16, primary, autosomal recessive, a condition characterized by significantly reduced head circumference and brain weight, highlights its potential as a target for therapeutic intervention. Understanding the role of Ankyrin repeat and LEM domain-containing protein 2 could open doors to potential therapeutic strategies.