Focused On-demand Library for RecQ-like DNA helicase BLM

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 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P54132

UPID:

BLM_HUMAN

Alternative names:

Bloom syndrome protein; DNA helicase, RecQ-like type 2; RecQ protein-like 3

Alternative UPACC:

P54132; Q52M96

Background:

RecQ-like DNA helicase BLM, also known as Bloom syndrome protein, plays a crucial role in DNA replication and repair by unwinding DNA in a 3'-5' direction. It is involved in key processes such as double-strand break repair, negatively regulating sister chromatid exchange, and stimulating DNA Holliday junction dissolution. This protein's ability to bind to various DNA structures underscores its importance in maintaining genomic stability.

Therapeutic significance:

Given its pivotal role in DNA repair mechanisms and its association with Bloom syndrome, a disorder marked by chromosomal instability and cancer predisposition, targeting RecQ-like DNA helicase BLM could offer novel therapeutic avenues. Understanding the role of this protein could open doors to potential therapeutic strategies, especially in the context of genetic disorders and cancer.