AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for LEM domain-containing protein 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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

Q8NC56

UPID:

LEMD2_HUMAN

Alternative names:

-

Alternative UPACC:

Q8NC56; B4DVH5; E7EVT2; Q5T972; Q5T974

Background:

LEM domain-containing protein 2 plays a pivotal role in nuclear structure organization, ensuring the integrity of the nuclear envelope and its reformation post-mitosis. It acts as a transmembrane adapter for ESCRT, aiding in ESCRT-mediated nuclear envelope reformation. This protein is crucial in organizing heterochromatin associated with the nuclear envelope and maintaining its organization under mechanical stress, highlighting its significance in cellular architecture.

Therapeutic significance:

LEM domain-containing protein 2 is implicated in Cataract 46, juvenile-onset, with or without arrhythmic cardiomyopathy, and Marbach-Rustad progeroid syndrome. Understanding the role of LEM domain-containing protein 2 could open doors to potential therapeutic strategies for these conditions, emphasizing the importance of targeted research in uncovering novel treatments.

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