Focused On-demand Library for Bone morphogenetic protein 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our partner 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 for enzymes.

Fig. 1. The sreening 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

Reaxense

upacc

P12643

UPID:

BMP2_HUMAN

Alternative names:

Bone morphogenetic protein 2A

Alternative UPACC:

P12643

Background:

Bone morphogenetic protein 2 (BMP2), also known as Bone morphogenetic protein 2A, is a pivotal growth factor belonging to the TGF-beta superfamily. It orchestrates critical roles in cardiogenesis, neurogenesis, and osteogenesis, signaling through canonical BMP pathways and non-canonical pathways like ERK/MAP kinase. BMP2's interaction with receptors BMPR1A and BMPR2 initiates a cascade that promotes cell differentiation and development.

Therapeutic significance:

BMP2's involvement in diseases such as Brachydactyly A2 and skeletal anomalies with or without cardiac anomalies underscores its therapeutic potential. Understanding BMP2's role could pave the way for innovative treatments targeting bone and cartilage malformations, offering hope for patients with these genetic disorders.