Focused On-demand Library for Dynein axonemal assembly factor 1

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 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.

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.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q8NEP3

UPID:

DAAF1_HUMAN

Alternative names:

Leucine-rich repeat-containing protein 50

Alternative UPACC:

Q8NEP3; B4DJA3; Q69YI8; Q69YJ0; Q69YW5; Q96LP3; Q96MB6

Background:

Dynein axonemal assembly factor 1, also known as Leucine-rich repeat-containing protein 50, is pivotal for ciliary stability and architecture. It facilitates the cytoplasmic preassembly of dynein arms, crucial for microtubule-based cilia and actin-based brush border microvilli.

Therapeutic significance:

Its association with Primary Ciliary Dyskinesia, particularly CILD13, underscores its clinical relevance. This condition, marked by motile cilia abnormalities, leads to chronic respiratory infections and reduced fertility. Understanding the role of Dynein axonemal assembly factor 1 could open doors to potential therapeutic strategies.