Focused On-demand Library for Dipeptidase 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

P16444

UPID:

DPEP1_HUMAN

Alternative names:

Beta-lactamase; Dehydropeptidase-I; Microsomal dipeptidase; Renal dipeptidase

Alternative UPACC:

P16444; D3DX80; Q96AK2

Background:

Dipeptidase 1, also known as Dehydropeptidase-I, Beta-lactamase, Microsomal dipeptidase, and Renal dipeptidase, is a versatile enzyme with a broad substrate range. It plays a crucial role in metabolizing dipeptides, including the conversion of leukotriene D4 to leukotriene E4, and in the degradation of glutathione. Additionally, it exhibits beta-lactamase activity, enabling it to hydrolyze beta-lactam antibiotics like imipenem. Beyond its enzymatic functions, Dipeptidase 1 serves as an adhesion receptor, facilitating neutrophil recruitment into inflamed lungs and liver.

Therapeutic significance:

Understanding the role of Dipeptidase 1 could open doors to potential therapeutic strategies. Its involvement in neutrophil recruitment and antibiotic degradation highlights its significance in immune response and antibiotic resistance, respectively, offering avenues for targeted drug development.