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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
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:
The RecQ-like DNA helicase BLM, with alternative names such as DNA helicase, RecQ-like type 2, and RecQ protein-like 3, is integral to DNA replication and repair. It unwinds single- and double-stranded DNA, participates in the repair of double-strand breaks, and is crucial for genomic integrity. Its interaction with DNA structures and role in mitigating sister chromatid exchange highlight its significance in cellular processes.

THERAPEUTIC SIGNIFICANCE:
RecQ-like DNA helicase BLM's involvement in Bloom syndrome, characterized by growth deficiency and increased cancer risk, underscores its therapeutic potential. By elucidating the mechanisms by which this protein operates, researchers can pave the way for innovative treatments targeting DNA repair pathways, offering hope for patients with Bloom syndrome and potentially other related conditions.

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