Focused On-demand Library for Protein phosphatase 1D

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 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 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

O15297

UPID:

PPM1D_HUMAN

Alternative names:

Protein phosphatase 2C isoform delta; Protein phosphatase magnesium-dependent 1 delta; p53-induced protein phosphatase 1

Alternative UPACC:

O15297; Q53XP4; Q6P991; Q8IVR6

Background:

Protein phosphatase 1D, also known as Protein phosphatase 2C isoform delta, plays a pivotal role in cellular processes by negatively regulating p53 expression and ensuring the relief of p53-dependent cell cycle arrest. It functions by dephosphorylating key proteins such as TP53 and CHEK1, contributing to their inactivation, and mediates MAPK14 dephosphorylation. Additionally, it is crucial in maintaining genome integrity through global heterochromatin silencing.

Therapeutic significance:

Given its involvement in Jansen-de Vries syndrome, breast cancer, and ovarian cancer, Protein phosphatase 1D represents a significant target for therapeutic intervention. Understanding its regulatory mechanisms offers a promising avenue for developing treatments aimed at these conditions, highlighting the protein's potential in drug discovery and cancer therapy.