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.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O60443
UPID:
GSDME_HUMAN
Alternative names:
Inversely correlated with estrogen receptor expression 1; Non-syndromic hearing impairment protein 5
Alternative UPACC:
O60443; A4D156; B2RAX9; B3KT05; O14590; Q08AQ8; Q9UBV3
Background:
Gasdermin-E, known for its alternative names such as Inversely correlated with estrogen receptor expression 1 and Non-syndromic hearing impairment protein 5, plays a pivotal role in cell death processes. It acts as a precursor of a pore-forming protein, transitioning non-inflammatory apoptosis to pyroptosis, and is involved in the release of mature interleukins, thus triggering pyroptosis.
Therapeutic significance:
Linked to Deafness, autosomal dominant, 5, Gasdermin-E's mutation-driven effects underscore its potential as a target for therapeutic intervention in sensorineural hearing loss. Understanding the role of Gasdermin-E could open doors to potential therapeutic strategies.