Focused On-demand Library for 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial

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.

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 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 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

O15528

UPID:

CP27B_HUMAN

Alternative names:

25-OHD-1 alpha-hydroxylase; 25-hydroxyvitamin D(3) 1-alpha-hydroxylase; Calcidiol 1-monooxygenase; Cytochrome P450 subfamily XXVIIB polypeptide 1; Cytochrome P450C1 alpha; Cytochrome P450VD1-alpha; Cytochrome p450 27B1

Alternative UPACC:

O15528; B2RC61; Q548T3

Background:

25-hydroxyvitamin D-1 alpha hydroxylase, a mitochondrial enzyme, plays a pivotal role in vitamin D metabolism, crucial for calcium and phosphorus homeostasis. It catalyzes the conversion of 25-hydroxyvitamin D3 to the hormonally active form, 1alpha,25-dihydroxyvitamin D3, engaging with the vitamin D receptor to exert its effects. This enzyme's activity is essential for bone mineralization and overall health.

Therapeutic significance:

The enzyme's deficiency is directly linked to Rickets vitamin D-dependent 1A, a disease characterized by defective bone mineralization. Understanding the role of 25-hydroxyvitamin D-1 alpha hydroxylase could open doors to potential therapeutic strategies, offering hope for targeted treatments that restore enzyme function and correct the underlying metabolic pathway.