Focused On-demand Library for Activin receptor type-2B

Focused On-demand Libraries - Reaxense 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.

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 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.

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

Fig. 1. The sreening 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13705

UPID:

AVR2B_HUMAN

Alternative names:

Activin receptor type IIB

Alternative UPACC:

Q13705; Q4VAV0

Background:

Activin receptor type-2B, a transmembrane serine/threonine kinase, plays a pivotal role in various physiological processes. It forms an activin receptor complex with type-1 serine/threonine kinase receptors, transducing activin signals from the cell surface to the cytoplasm. This receptor is crucial for neuronal differentiation, hair follicle development, FSH production, wound healing, and more. Its ability to regulate extracellular matrix production and immunosuppression also links it to carcinogenesis.

Therapeutic significance:

Given its involvement in visceral heterotaxy, a disorder disrupting normal organ asymmetry, Activin receptor type-2B is a key target for therapeutic intervention. Understanding its role could lead to novel treatments for congenital defects, including cardiac malformations and spleen anomalies, associated with this condition.