Focused On-demand Library for Condensin complex subunit 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 utilise our cutting-edge, exclusive workflow to develop 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

Q15003

UPID:

CND2_HUMAN

Alternative names:

Barren homolog protein 1; Chromosome-associated protein H; Non-SMC condensin I complex subunit H; XCAP-H homolog

Alternative UPACC:

Q15003; B4E189; Q8TB87

Background:

Condensin complex subunit 2, known by alternative names such as Barren homolog protein 1 and Non-SMC condensin I complex subunit H, plays a pivotal role in chromatin structure modification. It is essential for converting interphase chromatin into mitotic-like condensed chromosomes, facilitating accurate DNA replication and cell division. This protein's involvement in early neurogenesis, particularly in ensuring proper mitotic chromosome condensation in neuron stem cells, is crucial for brain development and cortex size.

Therapeutic significance:

Linked to Microcephaly 23, primary, autosomal recessive, a condition characterized by significantly reduced head circumference and brain weight, Condensin complex subunit 2's mutation underscores its critical role in neurodevelopment. Understanding the role of Condensin complex subunit 2 could open doors to potential therapeutic strategies for treating microcephaly and related neurodevelopmental disorders.