AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Lamin-B1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

P20700

UPID:

LMNB1_HUMAN

Alternative names:

-

Alternative UPACC:

P20700; B2R6J6; Q3SYN7; Q96EI6

Background:

Lamin-B1, a pivotal component of the nuclear lamina, plays a crucial role in maintaining the structural integrity of the nucleus. It is involved in various cellular processes, including DNA replication, chromatin organization, and the regulation of gene expression. The nuclear lamina, where Lamin-B1 is a key component, acts as a scaffold for the nuclear envelope and interacts with chromatin, influencing nuclear and cellular stability.

Therapeutic significance:

Lamin-B1's association with adult-onset demyelinating leukodystrophy and primary microcephaly underscores its critical role in neural development and function. These conditions highlight the protein's importance in myelination and brain size regulation. Understanding the role of Lamin-B1 could open doors to potential therapeutic strategies for these debilitating neurological disorders.

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