AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cilia- and flagella-associated protein 52

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

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

Q8N1V2

UPID:

CFA52_HUMAN

Alternative names:

WD repeat-containing protein 16; WD40-repeat protein up-regulated in HCC

Alternative UPACC:

Q8N1V2; B2RDU7; Q5DX23; Q8TC73; Q8TCI3

Background:

Cilia- and flagella-associated protein 52, also known as WD repeat-containing protein 16, plays a crucial role in the structure and function of cilia and flagella. This protein is a part of the microtubule inner protein complex, essential for the proper beating of cilia and flagella, and is implicated in cell growth and survival. Its interaction with CFAP45 and DNAH11 underscores its significance in cellular motility mechanisms.

Therapeutic significance:

The association of Cilia- and flagella-associated protein 52 with Heterotaxy, visceral, 10, autosomal, with male infertility, highlights its potential as a therapeutic target. Understanding the role of this protein could open doors to potential therapeutic strategies for treating congenital defects and male infertility linked to ciliary dysfunction.

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