Focused On-demand Library for Citron Rho-interacting 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.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O14578

UPID:

CTRO_HUMAN

Alternative names:

Serine/threonine-protein kinase 21

Alternative UPACC:

O14578; Q2M5E1; Q6XUH8; Q86UQ9; Q9UPZ7

Background:

Citron Rho-interacting kinase, also known as Serine/threonine-protein kinase 21, is pivotal in cytokinesis and central nervous system development. It exhibits serine/threonine protein kinase activity, crucial for KIF14 localization to the central spindle and midbody. This kinase binds to the GTP-bound forms of RHO and RAC1, displaying a preference for p21, and phosphorylates MYL9/MLC2, underscoring its integral role in cell division and neural development.

Therapeutic significance:

Linked to Microcephaly 17, primary, autosomal recessive, Citron Rho-interacting kinase's dysfunction manifests in severe brain development issues, including lissencephaly and cerebellar hypoplasia. Understanding its role could unveil novel therapeutic strategies for treating not only microcephaly but potentially other neurodevelopmental disorders.