Focused On-demand Library for 1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial

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.

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.

Our high-tech, dedicated method is applied to construct targeted 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 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

Q07973

UPID:

CP24A_HUMAN

Alternative names:

Cytochrome P450 24A1; Cytochrome P450-CC24

Alternative UPACC:

Q07973; Q15807; Q32ML3; Q5I2W7

Background:

1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial, also known as Cytochrome P450 24A1 or Cytochrome P450-CC24, plays a pivotal role in vitamin D catabolism and calcium homeostasis. It catalyzes the inactivation of vitamin D metabolites through C24- and C23-oxidation pathways, leading to the formation of calcitroic acid and 25(OH)D3-26,23-lactone, respectively.

Therapeutic significance:

The protein's involvement in Hypercalcemia, infantile, 1, a disorder marked by elevated calcium levels and nephrocalcinosis, underscores its therapeutic potential. Targeting Cytochrome P450 24A1 could offer new avenues for treating calcium homeostasis disorders.