AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Probable ATP-dependent DNA helicase HFM1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

A2PYH4

UPID:

HFM1_HUMAN

Alternative names:

SEC63 domain-containing protein 1

Alternative UPACC:

A2PYH4; B1B0B6; Q8N9Q0

Background:

The Probable ATP-dependent DNA helicase HFM1, also known as SEC63 domain-containing protein 1, plays a crucial role in meiosis. It is essential for crossover formation and complete synapsis of homologous chromosomes, processes vital for genetic diversity and fertility.

Therapeutic significance:

Given its pivotal role in meiosis, HFM1's dysfunction is linked to Premature ovarian failure 9, a condition characterized by early cessation of ovarian function. Understanding the role of HFM1 could open doors to potential therapeutic strategies for fertility disorders.

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