Focused On-demand Library for STE20-like serine/threonine-protein kinase

Focused On-demand Libraries - Reaxense Collaboration

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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 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

Q9H2G2

UPID:

SLK_HUMAN

Alternative names:

CTCL tumor antigen se20-9; STE20-related serine/threonine-protein kinase; Serine/threonine-protein kinase 2

Alternative UPACC:

Q9H2G2; D3DRA0; D3DRA1; O00211; Q6P1Z4; Q86WU7; Q86WW1; Q92603; Q9NQL0; Q9NQL1

Background:

The STE20-like serine/threonine-protein kinase, also known as CTCL tumor antigen se20-9, STE20-related serine/threonine-protein kinase, and Serine/threonine-protein kinase 2, plays a crucial role in mediating apoptosis and the dissolution of actin stress fibers. This protein's unique functions highlight its importance in cellular processes and signal transduction pathways.

Therapeutic significance:

Understanding the role of STE20-like serine/threonine-protein kinase could open doors to potential therapeutic strategies. Its involvement in apoptosis and actin stress fiber dissolution positions it as a key target for drug discovery efforts aimed at regulating cell death and cytoskeletal organization.