AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Condensin-2 complex subunit D3

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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 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

P42695

UPID:

CNDD3_HUMAN

Alternative names:

Non-SMC condensin II complex subunit D3

Alternative UPACC:

P42695; A6NFS2; Q4KMQ9

Background:

Condensin-2 complex subunit D3, also known as Non-SMC condensin II complex subunit D3, plays a pivotal role in mitotic chromosome architecture and neurogenesis. It is essential for the condensation of chromosomes during mitosis, ensuring their correct segregation into daughter cells. This protein is specifically required for resolving DNA intertwines and decatenating centromeric ultrafine DNA bridges during anaphase, which is crucial for maintaining genomic stability.

Therapeutic significance:

Given its critical function in neurogenesis and chromosome condensation, Condensin-2 complex subunit D3 is linked to Microcephaly 22, a condition characterized by reduced brain size and cortex. Understanding the role of Condensin-2 complex subunit D3 could open doors to potential therapeutic strategies for treating microcephaly and related neurological disorders.

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