Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 9

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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

P43378

UPID:

PTN9_HUMAN

Alternative names:

Protein-tyrosine phosphatase MEG2

Alternative UPACC:

P43378; Q53XR9

Background:

Tyrosine-protein phosphatase non-receptor type 9, also known as Protein-tyrosine phosphatase MEG2, encoded by the gene with accession number P43378, plays a pivotal role in cellular processes. It is involved in the dephosphorylation of tyrosine residues of proteins, a critical post-translational modification that regulates various cellular activities. This enzyme's unique function includes the transfer of hydrophobic ligands and involvement in Golgi apparatus functions, highlighting its importance in intracellular trafficking and protein modification.

Therapeutic significance:

Understanding the role of Tyrosine-protein phosphatase non-receptor type 9 could open doors to potential therapeutic strategies. Its involvement in key cellular processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits. The exploration of its functions and mechanisms offers a pathway to novel treatments for diseases where protein phosphorylation plays a crucial role.