AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA repair-scaffolding protein

Available from Reaxense
Predicted by Alphafold

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

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

Q14159

UPID:

SPIDR_HUMAN

Alternative names:

Scaffolding protein involved in DNA repair

Alternative UPACC:

Q14159; B4DFV2; B4E0Y6; Q96BI5

Background:

The DNA repair-scaffolding protein, also known as a Scaffolding protein involved in DNA repair, is pivotal in maintaining genomic integrity. It plays a crucial role in DNA double-strand break (DBS) repair through homologous recombination (HR), facilitating the recruitment of essential DNA-processing enzymes like BLM helicase and RAD51 recombinase to the site of DNA damage.

Therapeutic significance:

Linked to Ovarian dysgenesis 9, a disorder characterized by primary amenorrhea and hypergonadotropic hypogonadism, this protein's dysfunction underscores its potential as a target for therapeutic intervention. Understanding the role of DNA repair-scaffolding protein could open doors to potential therapeutic strategies.

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