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.
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.
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
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Key features that set our library apart include:
partner
Reaxense
upacc
O43623
UPID:
SNAI2_HUMAN
Alternative names:
Neural crest transcription factor Slug; Protein snail homolog 2
Alternative UPACC:
O43623; B2R6P6; Q53FC1
Background:
Zinc finger protein SNAI2, also known as Neural crest transcription factor Slug or Protein snail homolog 2, plays a pivotal role in various biological processes. It acts as a transcriptional repressor modulating activator-dependent and basal transcription, crucial for neural crest cell generation and migration. SNAI2 is involved in oncogenic transformation, repressing BRCA2 in breast cells, and regulating cell adhesion and proliferation in epidermal keratinocytes.
Therapeutic significance:
SNAI2's involvement in diseases like Waardenburg syndrome 2D and Piebald trait, characterized by pigmentary disturbances and sensorineural deafness, highlights its potential as a therapeutic target. Understanding the role of Zinc finger protein SNAI2 could open doors to potential therapeutic strategies.