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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 high-tech, dedicated method is applied to construct targeted 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q13873

UPID:

BMPR2_HUMAN

Alternative names:

Bone morphogenetic protein receptor type II

Alternative UPACC:

Q13873; Q13161; Q16569; Q4ZG08; Q53SA5; Q585T8

Background:

The Bone morphogenetic protein receptor type-2 (BMPR-II) plays a pivotal role in cellular processes, notably in the BMP signaling pathway. This receptor complex, upon ligand binding, activates a cascade involving the phosphorylation of type I receptors and subsequent activation of SMAD transcriptional regulators. It specifically binds to BMP7, BMP2, and to a lesser extent, BMP4, with its function being crucial in adipogenesis mediated by GDF6.

Therapeutic significance:

BMPR-II is directly implicated in the pathogenesis of Pulmonary hypertension, primary, 1, and Pulmonary venoocclusive disease 1, autosomal dominant. These conditions underscore the receptor's critical role in pulmonary vascular diseases, highlighting its potential as a therapeutic target. Understanding the role of Bone morphogenetic protein receptor type-2 could open doors to potential therapeutic strategies.