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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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
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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9Y6H1
UPID:
CHCH2_HUMAN
Alternative names:
Aging-associated gene 10 protein; HCV NS2 trans-regulated protein
Alternative UPACC:
Q9Y6H1; Q498C3; Q6NZ50
Background:
The Coiled-coil-helix-coiled-coil-helix domain-containing protein 2, also known as Aging-associated gene 10 protein and HCV NS2 trans-regulated protein, plays a pivotal role as a transcription factor. It uniquely activates the transcription of COX4I2 under both hypoxia (4% oxygen) and normoxia (20% oxygen) conditions, showcasing its versatility in cellular oxygen response.
Therapeutic significance:
Given its involvement in Parkinson disease 22, a neurodegenerative disorder marked by the loss of dopaminergic neurons and presence of Lewy bodies, understanding the role of this protein could pave the way for novel therapeutic strategies targeting the underlying mechanisms of Parkinson's and potentially other neurodegenerative diseases.