Focused On-demand Library for Diacylglycerol kinase beta

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

We employ our advanced, specialised process to create 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

Q9Y6T7

UPID:

DGKB_HUMAN

Alternative names:

90 kDa diacylglycerol kinase; Diglyceride kinase beta

Alternative UPACC:

Q9Y6T7; A4D116; A4D117; A8MXU2; O75241; Q2M377; Q75MF9; Q75MU7; Q86UI5; Q86UM9; Q9UQ29

Background:

Diacylglycerol kinase beta, also known as 90 kDa diacylglycerol kinase or diglyceride kinase beta, plays a pivotal role in cellular signaling by converting diacylglycerol (DAG) into phosphatidic acid (PA). This conversion is crucial for regulating the balance between DAG and PA, two bioactive lipids with opposing functions in various biological processes. The enzyme exhibits a preference for long-chain diacylglycerols, indicating its specificity in lipid signaling pathways. Predominantly expressed in the brain, it is instrumental in neuron-specific morphological changes, including neurite branching and spine formation, highlighting its significance in neural development and function.

Therapeutic significance:

Understanding the role of Diacylglycerol kinase beta could open doors to potential therapeutic strategies. Its central role in lipid signaling pathways and neural development positions it as a key target for interventions in neurological disorders and diseases where lipid signaling imbalances are implicated.