AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dynein regulatory complex subunit 2

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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening 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.

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

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.

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