Focused On-demand Library for Deoxyribonuclease gamma

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

We employ our advanced, specialised process to create 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 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

Q13609

UPID:

DNSL3_HUMAN

Alternative names:

DNase I homolog protein DHP2; Deoxyribonuclease I-like 3; Liver and spleen DNase

Alternative UPACC:

Q13609; B2R8B1; B7Z707; O75803

Background:

Deoxyribonuclease gamma, also known as DNase I homolog protein DHP2, Deoxyribonuclease I-like 3, and Liver and spleen DNase, exhibits DNA hydrolytic activity, cleaving both single- and double-stranded DNA. It plays a crucial role in apoptosis and necrosis by acting in internucleosomal DNA fragmentation and is active in apoptotic cell-derived membrane-coated microparticles, suppressing anti-DNA autoimmunity. Additionally, it collaborates with DNASE1 in degrading neutrophil extracellular traps (NETs), preventing blood vessel obstruction and organ damage following inflammation.

Therapeutic significance:

Given its involvement in Systemic lupus erythematosus 16, a rare form of systemic lupus erythematosus characterized by lupus nephritis and anti-neutrophil cytoplasmic antibodies, Deoxyribonuclease gamma represents a promising target for therapeutic intervention. Understanding its role could lead to novel treatments for autoimmune diseases and conditions associated with excessive NET formation.