Focused On-demand Library for Bone morphogenetic protein 6

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.

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.

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 employ our advanced, specialised process to create 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

P22004

UPID:

BMP6_HUMAN

Alternative names:

VG-1-related protein

Alternative UPACC:

P22004; Q5TCP3

Background:

Bone morphogenetic protein 6 (BMP6), also known as VG-1-related protein, is a pivotal growth factor within the TGF-beta superfamily. It orchestrates critical roles in developmental processes, notably in cartilage and bone formation. BMP6 is instrumental in iron metabolism regulation, acting as a ligand for hemojuvelin/HJV to modulate HAMP/hepcidin expression. It triggers the canonical BMP signaling cascade through interaction with receptors ACVR1 and ACVR2B, and engages in non-canonical pathways like the TAZ-Hippo signaling to influence VEGF signaling.

Therapeutic significance:

BMP6's involvement in iron overload, a disorder of iron homeostasis, underscores its therapeutic potential. Understanding BMP6's regulatory role in iron metabolism and its impact on diseases like iron overload could pave the way for innovative treatment strategies, leveraging its signaling pathways to correct iron imbalances.