Focused On-demand Library for Platelet-derived growth factor receptor alpha

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

P16234

UPID:

PGFRA_HUMAN

Alternative names:

Alpha platelet-derived growth factor receptor; Alpha-type platelet-derived growth factor receptor; CD140 antigen-like family member A; CD140a antigen; Platelet-derived growth factor alpha receptor; Platelet-derived growth factor receptor 2

Alternative UPACC:

P16234; B2RE69; E9PBH0; Q6P4H5; Q96KZ7; Q9UD28

Background:

The Platelet-derived growth factor receptor alpha (PDGFRA) is a tyrosine-protein kinase playing a pivotal role in various cellular processes such as embryonic development, cell proliferation, survival, and chemotaxis. It acts as a cell-surface receptor for PDGFA, PDGFB, and PDGFC, influencing bone marrow-derived mesenchymal stem cells differentiation, skeleton development, and gastrointestinal tract mucosa lining development.

Therapeutic significance:

PDGFRA's mutations and constitutive activation are linked to Gastrointestinal stromal tumor (GIST) and GIST-plus syndrome, highlighting its critical role in disease pathogenesis. Understanding the role of PDGFRA could open doors to potential therapeutic strategies targeting these mutations to manage or treat GISTs.