Focused On-demand Library for DNA-binding protein SMUBP-2

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.

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

P38935

UPID:

SMBP2_HUMAN

Alternative names:

ATP-dependent helicase IGHMBP2; Glial factor 1; Immunoglobulin mu-binding protein 2

Alternative UPACC:

P38935; A0PJD2; Q00443; Q14177

Background:

DNA-binding protein SMUBP-2, also known as ATP-dependent helicase IGHMBP2, plays a crucial role in unwinding RNA and DNA duplexes in an ATP-dependent manner. It specifically targets 5'-phosphorylated single-stranded guanine-rich sequences, indicating a specialized function in nucleic acid metabolism. This protein is implicated in various cellular processes including RNA metabolism, ribosome biogenesis, and potentially in the initiation of translation and regulation of transcription.

Therapeutic significance:

DNA-binding protein SMUBP-2 is linked to two significant neuromuscular disorders: Neuronopathy, distal hereditary motor, 6, and Charcot-Marie-Tooth disease, axonal, 2S. Both diseases are characterized by progressive muscle weakness and atrophy, attributed to mutations affecting the gene encoding this protein. Understanding the role of DNA-binding protein SMUBP-2 could open doors to potential therapeutic strategies for these debilitating conditions.