Focused On-demand Library for Platelet glycoprotein Ib alpha chain

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.

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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

P07359

UPID:

GP1BA_HUMAN

Alternative names:

Antigen CD42b-alpha

Alternative UPACC:

P07359; E7ES66; Q14441; Q16469; Q8N1F3; Q8NG39; Q9HDC7; Q9UEK1; Q9UQS4

Background:

The Platelet glycoprotein Ib alpha chain, also known as Antigen CD42b-alpha, plays a crucial role in hemostasis. It is a key component of the GP-Ib complex on platelet surfaces, essential for platelet adhesion by binding to von Willebrand factor (vWF) under high shear stress conditions. This interaction is pivotal for the formation of platelet plugs at sites of vascular injury.

Therapeutic significance:

Given its central role in platelet adhesion and thrombus formation, the Platelet glycoprotein Ib alpha chain is implicated in several coagulation disorders, including Non-arteritic anterior ischemic optic neuropathy, Bernard-Soulier syndrome, Bernard-Soulier syndrome A2, autosomal dominant, and Pseudo-von Willebrand disease. Targeting this protein could lead to innovative treatments for these conditions, highlighting its therapeutic significance.