Focused On-demand Library for Dual specificity protein kinase CLK3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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 use our state-of-the-art dedicated workflow for designing 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.

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

P49761

UPID:

CLK3_HUMAN

Alternative names:

CDC-like kinase 3

Alternative UPACC:

P49761; D3DW59; Q53Y48; Q9BRS3; Q9BUJ7

Background:

Dual specificity protein kinase CLK3, also known as CDC-like kinase 3, plays a pivotal role in cellular processes by acting on both serine/threonine and tyrosine-containing substrates. It is crucial for phosphorylating serine- and arginine-rich proteins of the spliceosomal complex, influencing RNA splicing and the distribution of SR proteins within the cell. CLK3's activity on SRSF1 and SRSF3 underscores its regulatory significance in alternative splicing mechanisms, particularly noted in the context of tissue factor pre-mRNA in endothelial cells.

Therapeutic significance:

Understanding the role of Dual specificity protein kinase CLK3 could open doors to potential therapeutic strategies. Its involvement in critical regulatory mechanisms of RNA splicing and protein distribution presents a unique opportunity for targeting diseases at the molecular level.