Focused On-demand Library for Dynein regulatory complex subunit 2

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

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 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

Q8IXS2

UPID:

DRC2_HUMAN

Alternative names:

Coiled-coil domain-containing protein 65; Testis development protein NYD-SP28

Alternative UPACC:

Q8IXS2; A6NJG5; B2RBE2; Q8N7G4; Q8NA91; Q96JA0

Background:

Dynein regulatory complex subunit 2, also known as Coiled-coil domain-containing protein 65 or Testis development protein NYD-SP28, plays a pivotal role in ciliary and flagellar motility. It is a crucial component of the nexin-dynein regulatory complex (N-DRC), ensuring the proper alignment and integrity of the distal axoneme. This protein is instrumental in the assembly of N-DRC, stabilizing the inner dynein arms and radial spokes, and facilitating their attachment to outer doublet microtubules.

Therapeutic significance:

The protein's involvement in primary ciliary dyskinesia, particularly type 27, underscores its therapeutic significance. This condition, characterized by motile cilia abnormalities, leads to chronic respiratory infections and potentially situs inversus in Kartagener syndrome. Understanding the role of Dynein regulatory complex subunit 2 could open doors to potential therapeutic strategies for treating or managing these ciliary disorders.