Focused On-demand Library for Lathosterol oxidase

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

O75845

UPID:

SC5D_HUMAN

Alternative names:

C-5 sterol desaturase; Delta(7)-sterol 5-desaturase; Delta(7)-sterol C5(6)-desaturase; Lathosterol 5-desaturase; Sterol-C5-desaturase

Alternative UPACC:

O75845; O00119; Q6GTM5; Q9UK15

Background:

Lathosterol oxidase, also known as C-5 sterol desaturase, plays a pivotal role in cholesterol biosynthesis. It catalyzes the dehydrogenation to introduce a C5-6 double bond into lathosterol. This enzyme's activity is crucial for the proper formation of cholesterol, a fundamental component of cell membranes and precursor of steroid hormones.

Therapeutic significance:

Lathosterolosis, a rare autosomal recessive disorder, is directly linked to mutations in the gene encoding lathosterol oxidase. This condition manifests through congenital anomalies affecting various systems. Understanding the role of lathosterol oxidase could open doors to potential therapeutic strategies for treating lathosterolosis and improving cholesterol metabolism disorders.