Focused On-demand Library for Deoxyribonuclease-2-alpha

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 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 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

O00115

UPID:

DNS2A_HUMAN

Alternative names:

Acid DNase; Deoxyribonuclease II alpha; Lysosomal DNase II; R31240_2

Alternative UPACC:

O00115; B2RD06; B7Z4K6; O43910

Background:

Deoxyribonuclease-2-alpha, also known as Acid DNase, Lysosomal DNase II, and R31240_2, is pivotal in DNA hydrolysis under acidic conditions, favoring double-stranded DNA. It plays a crucial role in clearing nucleic acids generated through apoptosis, thus preventing autoinflammation. This protein is essential for fetal development and definitive erythropoiesis in fetal liver and bone marrow by degrading nuclear DNA expelled from erythroid precursor cells.

Therapeutic significance:

Deoxyribonuclease-2-alpha is linked to Autoinflammatory-pancytopenia syndrome, a disorder characterized by severe anemia, thrombocytopenia, and a hyperinflammatory state. Understanding the role of Deoxyribonuclease-2-alpha could open doors to potential therapeutic strategies for this syndrome.