Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library stands out due to several important features:
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.