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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


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


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across 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
Receptor.AI
 
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, identified by its alternative names Coiled-coil domain-containing protein 19 and Nasopharyngeal epithelium-specific protein 1, is integral to motile cilia function. As a Microtubule inner protein, it is crucial for the beating of motile cilia and flagella, acting as an AMP-binding protein to promote adenine nucleotide homeostasis and facilitate dynein ATPase-dependent beating.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the development of Heterotaxy, visceral, 11, autosomal, with male infertility, targeting Cilia- and flagella-associated protein 45 offers a promising avenue for addressing congenital heart malformations and infertility. Its multifaceted role in biological systems makes it an intriguing subject for scientific inquiry and drug development.

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