Focused On-demand Library for Bone morphogenetic protein 2

Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P12643

UPID:
BMP2_HUMAN

ALTERNATIVE NAMES:
Bone morphogenetic protein 2A

ALTERNATIVE UPACC:
P12643

BACKGROUND:
The Bone morphogenetic protein 2 (BMP2) functions as a cornerstone in developmental processes, including the formation of bone and cartilage. It activates the BMP signaling cascade, crucial for cell differentiation and growth. Through its interaction with specific receptors and signaling pathways, BMP2 influences a wide range of cellular functions, highlighting its significance in developmental biology.

THERAPEUTIC SIGNIFICANCE:
Given BMP2's critical role in conditions like Brachydactyly A2, its study offers a promising avenue for therapeutic intervention. Understanding the role of BMP2 could open doors to potential therapeutic strategies, especially for disorders related to bone growth and development, marking a significant step forward in genetic disease treatment.

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