Focused On-demand Library for Bone morphogenetic protein receptor type-2

Details

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by 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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


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
Receptor.AI
 
UPACC
Q13873

UPID:
BMPR2_HUMAN

ALTERNATIVE NAMES:
Bone morphogenetic protein receptor type II

ALTERNATIVE UPACC:
Q13873; Q13161; Q16569; Q4ZG08; Q53SA5; Q585T8

BACKGROUND:
Bone morphogenetic protein receptor type-2 (BMPR-II) is integral to the BMP signaling pathway, essential for various biological processes. It forms a receptor complex that initiates a signaling cascade, leading to the activation of SMAD transcriptional regulators. BMPR-II's affinity for BMP7, BMP2, and BMP4 plays a significant role in the induction of adipogenesis by GDF6.

THERAPEUTIC SIGNIFICANCE:
The involvement of BMPR-II in diseases such as Pulmonary hypertension, primary, 1, and Pulmonary venoocclusive disease 1, autosomal dominant, positions it as a key target for drug discovery. The receptor's link to these pulmonary conditions suggests that targeting BMPR-II could offer new avenues for therapeutic intervention. Understanding the role of Bone morphogenetic protein receptor type-2 could open doors to potential therapeutic strategies.

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