AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for G-protein coupled receptor-associated protein LMBRD2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q68DH5

UPID:

LMBD2_HUMAN

Alternative names:

LMBR1 domain-containing protein 2

Alternative UPACC:

Q68DH5; B3KRB6; Q9NTC7

Background:

G-protein coupled receptor-associated protein LMBRD2, also known as LMBR1 domain-containing protein 2, plays a crucial role in cellular signaling. It is known to negatively regulate the adrenergic receptor signaling pathway, particularly upon activation of the beta-2 adrenergic receptor/ADRB2. This protein may also influence the function of other G-protein coupled receptors, including the type-1 angiotensin II receptor/AGTR1.

Therapeutic significance:

LMBRD2 is implicated in the autosomal dominant disorder characterized by developmental delay with variable neurologic and brain abnormalities. Understanding the role of LMBRD2 could open doors to potential therapeutic strategies for managing this complex condition.

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