Focused On-demand Library for Megakaryocyte and platelet inhibitory receptor G6b

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

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.

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

O95866

UPID:

G6B_HUMAN

Alternative names:

Protein G6b

Alternative UPACC:

O95866; A2BEZ1; A2BEZ2; A2BEZ3; A2BEZ4; A2BEZ5; B0UXC4; B0UXC7; B0UXC8; B0V024; B0V026; Q14CK2; Q96A86; Q96A87; Q96A88; Q96A89; Q96A90; Q96A91

Background:

Megakaryocyte and platelet inhibitory receptor G6b, also known as Protein G6b, plays a pivotal role in hematopoietic lineage differentiation, megakaryocyte function, and platelet production. It inhibits platelet aggregation and activation through its unique structure, featuring a transmembrane region and two immunoreceptor tyrosine-based inhibitor motifs (ITIMs). This protein operates in a calcium-independent manner, regulating megakaryocyte function and platelet production by inhibiting CLEC1B and GP6:FcRgamma signaling pathways.

Therapeutic significance:

Given its critical role in regulating platelet production and function, Megakaryocyte and platelet inhibitory receptor G6b is directly linked to thrombocytopenia, anemia, and myelofibrosis. Understanding the role of this protein could open doors to potential therapeutic strategies for these conditions, offering hope for patients suffering from these debilitating diseases.