Focused On-demand Library for Parathyroid hormone-related protein

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 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

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

P12272

UPID:

PTHR_HUMAN

Alternative names:

Parathyroid hormone-like protein

Alternative UPACC:

P12272; Q15251; Q6FH74

Background:

Parathyroid hormone-related protein (PTHrP), also known as Parathyroid hormone-like protein, plays a pivotal role in the regulation of cellular and organ growth, development, migration, differentiation, and survival, as well as epithelial calcium ion transport. It is instrumental in endochondral bone development and the epithelial-mesenchymal interactions during mammary glands and teeth formation, ensuring skeletal homeostasis and promoting mammary mesenchyme differentiation.

Therapeutic significance:

PTHrP's involvement in Brachydactyly E2, a condition characterized by the shortening of digits due to abnormal development, underscores its therapeutic potential. Understanding the role of Parathyroid hormone-related protein could open doors to potential therapeutic strategies, especially in bone development disorders and epithelial-mesenchymal interaction-related conditions.