Focused On-demand Library for Ribitol-5-phosphate transferase FKTN

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.

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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

Our top-notch dedicated system is used to design specialised 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

O75072

UPID:

FKTN_HUMAN

Alternative names:

Fukutin; Fukuyama-type congenital muscular dystrophy protein; Ribitol-5-phosphate transferase

Alternative UPACC:

O75072; B4DUX9; J3KP13; Q3MIJ1; Q96TE1; Q9P295

Background:

Ribitol-5-phosphate transferase FKTN, also known as Fukutin, plays a crucial role in the biosynthesis of alpha-dystroglycan, a key component in muscle cell stability and integrity. This enzyme catalyzes the transfer of ribitol-phosphate to a specific carbohydrate structure, essential for muscle membrane reinforcement.

Therapeutic significance:

Mutations in FKTN are linked to a spectrum of muscular dystrophies and cardiomyopathies, including Walker-Warburg syndrome and dilated cardiomyopathy 1X. Understanding FKTN's function offers a pathway to novel treatments for these debilitating conditions.