AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein kinase tousled-like 2

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.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q86UE8

UPID:

TLK2_HUMAN

Alternative names:

HsHPK; PKU-alpha; Tousled-like kinase 2

Alternative UPACC:

Q86UE8; D3DU07; Q9UKI7; Q9Y4F7

Background:

Serine/threonine-protein kinase tousled-like 2 (TLK2) plays a pivotal role in chromatin assembly, DNA replication, transcription, repair, and chromosome segregation. It phosphorylates chromatin assembly factors ASF1A and ASF1B, enhancing chromatin assembly and preventing ASF1A degradation. TLK2 also acts as a negative regulator of autophagy under amino acid starvation.

Therapeutic significance:

TLK2 is linked to Intellectual developmental disorder, autosomal dominant 57 (MRD57), characterized by delayed psychomotor development and behavioral abnormalities. Understanding TLK2's role could lead to novel therapeutic strategies for MRD57 and related chromatin assembly disorders.

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