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.
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.
We employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
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.