Focused On-demand Library for Coiled-coil domain-containing protein 39

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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

Q9UFE4

UPID:

CCD39_HUMAN

Alternative names:

Alternative UPACC:

Q9UFE4; B4E2H1

Background:

Coiled-coil domain-containing protein 39 plays a pivotal role in ciliary and flagellar motility, essential for the proper functioning of motile cilia. It is crucial for the assembly of dynein regulatory complex (DRC) and inner dynein arm (IDA) complexes, which regulate ciliary beat. This protein, in collaboration with CCDC40, establishes the structural integrity of cilia and flagella, ensuring their 96 nm repeat length and component arrangement.

Therapeutic significance:

Primary ciliary dyskinesia, particularly type 14, is directly linked to mutations in the gene encoding for coiled-coil domain-containing protein 39. This condition manifests through chronic respiratory infections, reduced fertility, and in some cases, situs inversus, underlining the protein's critical role in human health. Understanding the role of coiled-coil domain-containing protein 39 could open doors to potential therapeutic strategies for treating primary ciliary dyskinesia.