Focused On-demand Library for Dipeptidyl peptidase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 high-tech, dedicated method is applied to construct targeted 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 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

P53634

UPID:

CATC_HUMAN

Alternative names:

Cathepsin C; Cathepsin J; Dipeptidyl peptidase I; Dipeptidyl transferase

Alternative UPACC:

P53634; A8K7V2; B5MDD5; Q2HIY8; Q53G93; Q71E75; Q71E76; Q7M4N9; Q7Z3G7; Q7Z5U7; Q8WY99; Q8WYA7; Q8WYA8

Background:

Dipeptidyl peptidase 1, also known as Cathepsin C, plays a crucial role in immune response and inflammation through its enzymatic activity. It processes a broad range of dipeptide substrates, excluding those with proline at the P1 position and arginine at the P2 position. Its ability to activate serine proteases such as elastase and cathepsin G underscores its multifaceted role in biological systems.

Therapeutic significance:

The protein's involvement in diseases like Papillon-Lefevre syndrome, Haim-Munk syndrome, and aggressive periodontitis highlights its potential as a therapeutic target. These conditions, characterized by palmoplantar keratosis, periodontitis, and tooth loss, underscore the protein's clinical relevance. Understanding the role of Dipeptidyl peptidase 1 could open doors to novel therapeutic strategies for these debilitating diseases.