Focused On-demand Library for Meiosis-specific with OB domain-containing protein

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

Q8N635

UPID:

MEIOB_HUMAN

Alternative names:

Alternative UPACC:

Q8N635; B1AK39; C9J0S1; Q96RY0

Background:

The Meiosis-specific with OB domain-containing protein plays a crucial role in homologous recombination during meiosis I. It is essential for the repair of double strand breaks (DSBs), crossover formation, and ensuring complete synapsis. This protein is pivotal in maintaining the proper number of RAD51 and DMC1 foci post-zygotene stage, facilitating successful homology search and meiotic recombination through the stabilization of recombinases.

Therapeutic significance:

Given its critical function in spermatogenesis, particularly in the context of Spermatogenic failure 22, a non-obstructive azoospermia disorder, the Meiosis-specific with OB domain-containing protein presents a promising target for therapeutic intervention. Understanding its role could open doors to potential therapeutic strategies for treating infertility.