Focused On-demand Library for Cilia- and flagella-associated protein 45

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9UL16

UPID:

CFA45_HUMAN

Alternative names:

Coiled-coil domain-containing protein 19; Nasopharyngeal epithelium-specific protein 1

Alternative UPACC:

Q9UL16; C9JH28; Q05BA3; Q5VU18

Background:

Cilia- and flagella-associated protein 45, also known as Coiled-coil domain-containing protein 19 and Nasopharyngeal epithelium-specific protein 1, plays a crucial role in the structure and function of motile cilia. It is a Microtubule inner protein (MIP) part of the dynein-decorated doublet microtubules in cilia axoneme, essential for motile cilia beating. This protein is an AMP-binding protein that facilitates dynein ATPase-dependent ciliary and flagellar beating via adenine nucleotide homeostasis.

Therapeutic significance:

The protein's involvement in Heterotaxy, visceral, 11, autosomal, with male infertility, highlights its potential in therapeutic strategies targeting congenital defects and male infertility. Understanding the role of Cilia- and flagella-associated protein 45 could open doors to potential therapeutic strategies.