AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Kelch-like protein 40

Available from Reaxense
Predicted by Alphafold

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

Q2TBA0

UPID:

KLH40_HUMAN

Alternative names:

Kelch repeat and BTB domain-containing protein 5; Sarcosynapsin

Alternative UPACC:

Q2TBA0; Q86SI1; Q96MR2

Background:

Kelch-like protein 40, also known as Kelch repeat and BTB domain-containing protein 5 or Sarcosynapsin, plays a pivotal role in skeletal muscle development. It functions as a substrate-specific adapter of a BCR (BTB-CUL3-RBX1) E3 ubiquitin ligase complex, crucial for mediating ubiquitination and degradation of TFDP1. This action regulates the E2F:DP transcription factor complex activity. Additionally, it promotes the stabilization of LMOD3 by acting as a negative regulator of its ubiquitination.

Therapeutic significance:

Kelch-like protein 40's involvement in Nemaline myopathy 8, a severe muscular disorder, underscores its therapeutic significance. Understanding the protein's role could lead to groundbreaking therapeutic strategies for treating muscle weakness and developmental complications associated with this condition.

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