AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dynein regulatory complex protein 1

Available from Reaxense
Predicted by Alphafold

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96MC2

UPID:

DRC1_HUMAN

Alternative names:

Coiled-coil domain-containing protein 164

Alternative UPACC:

Q96MC2; A8K1N8; Q53R91; Q53TA3; Q8NDI5

Background:

Dynein regulatory complex protein 1, also known as Coiled-coil domain-containing protein 164, plays a pivotal role in ciliary and flagellar motility. It is a component of the nexin-dynein regulatory complex (N-DRC), crucial for maintaining the alignment and integrity of the distal axoneme. This protein is instrumental in regulating microtubule sliding in motile axonemes, assembling N-DRC, and stabilizing the assembly of inner dynein arms and radial spokes.

Therapeutic significance:

Given its critical role in ciliary and flagellar motility, Dynein regulatory complex protein 1 is directly implicated in diseases such as Primary Ciliary Dyskinesia and Spermatogenic Failure 80. Understanding the role of this protein could open doors to potential therapeutic strategies for these conditions, highlighting its significance in medical research and drug discovery.

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