Focused On-demand Library for Tripeptidyl-peptidase 2

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

P29144

UPID:

TPP2_HUMAN

Alternative names:

Tripeptidyl aminopeptidase; Tripeptidyl-peptidase II

Alternative UPACC:

P29144; Q5VZU8

Background:

Tripeptidyl-peptidase 2, also known as Tripeptidyl aminopeptidase or Tripeptidyl-peptidase II, plays a crucial role in the ubiquitin-proteasome pathway by releasing N-terminal tripeptides from polypeptides. This enzyme is pivotal in maintaining intracellular amino acid homeostasis and stimulates adipogenesis, showcasing its versatile functions in cellular processes.

Therapeutic significance:

Linked to Immunodeficiency 78 with autoimmunity and developmental delay, Tripeptidyl-peptidase 2's dysfunction underscores its importance in immune regulation and neural development. Understanding its role could pave the way for innovative treatments targeting immune dysregulation and developmental disorders.