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.

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

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

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.