Focused On-demand Library for Serine/threonine-protein kinase MAK

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P20794

UPID:

MAK_HUMAN

Alternative names:

Male germ cell-associated kinase

Alternative UPACC:

P20794; F1T0K6; G1FL29; Q547D0; Q9NUH7

Background:

Serine/threonine-protein kinase MAK, also known as Male germ cell-associated kinase, plays a pivotal role in various cellular processes. It is essential for the regulation of ciliary length, crucial for photoreceptor survival, and involved in spermatogenesis. Additionally, MAK phosphorylates FZR1 in a cell cycle-dependent manner and contributes to chromosomal stability in prostate cancer cells.

Therapeutic significance:

MAK's involvement in Retinitis pigmentosa 62, a retinal dystrophy characterized by loss of photoreceptors and vision, highlights its potential as a therapeutic target. Understanding the role of Serine/threonine-protein kinase MAK could open doors to potential therapeutic strategies for this and related diseases.