Focused On-demand Library for cGMP-dependent protein kinase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 utilise our cutting-edge, exclusive workflow to develop focused 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 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

Q13237

UPID:

KGP2_HUMAN

Alternative names:

cGMP-dependent protein kinase II

Alternative UPACC:

Q13237; B4DMX3; E7EPE6; O00125; O60916

Background:

cGMP-dependent protein kinase 2, also known as cGMP-dependent protein kinase II, plays a pivotal role in various physiological processes. It regulates intestinal secretion and bone growth by phosphorylating and activating CFTR on the plasma membrane. This kinase is essential for intestinal secretion in the jejunum, synaptic plasticity by acting downstream of NMDAR, and gene expression in mechanically stimulated osteoblasts, leading to the activation of MAPK pathways and induction of FOS genes.

Therapeutic significance:

The involvement of cGMP-dependent protein kinase 2 in spondylometaphyseal dysplasia, Pagnamenta type, and acromesomelic dysplasia 4, underscores its therapeutic significance. Understanding the role of this kinase could open doors to potential therapeutic strategies for these skeletal disorders, characterized by short stature and limb abnormalities, by targeting the underlying genetic variants affecting its function.