AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Testis-specific serine/threonine-protein kinase 4

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 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 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.

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

Q6SA08

UPID:

TSSK4_HUMAN

Alternative names:

Serine/threonine-protein kinase 22E

Alternative UPACC:

Q6SA08; Q2TA60; Q6ZNM2

Background:

Testis-specific serine/threonine-protein kinase 4, alternatively known as Serine/threonine-protein kinase 22E, plays a crucial role in male germ cell development and mature sperm function. This kinase is implicated in the Cre/Creb signaling pathway, phosphorylating CREB1 on 'Ser-133' and CREM on 'Ser-116', thereby potentially enhancing the Cre/Creb pathway's activity in cells. Its involvement extends to phosphorylating ODF2 on 'Ser-95', highlighting its significance in cellular signaling processes.

Therapeutic significance:

Understanding the role of Testis-specific serine/threonine-protein kinase 4 could open doors to potential therapeutic strategies, particularly in the realm of reproductive health and male fertility. Its pivotal role in sperm function and development positions it as a key target for addressing male infertility issues.

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