Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
Our high-tech, dedicated method is applied to construct targeted 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:
partner
Reaxense
upacc
Q6NXT2
UPID:
H3C_HUMAN
Alternative names:
Histone H3.5
Alternative UPACC:
Q6NXT2; E9P281
Background:
Histone H3.3C, also known as Histone H3.5, is a core component of the nucleosome, playing a pivotal role in wrapping and compacting DNA into chromatin. This process is crucial for regulating DNA accessibility for transcription, repair, replication, and ensuring chromosomal stability. Histone H3.3C is distinguished by its association with euchromatin and actively transcribed genes, influenced by the histone code and nucleosome remodeling.
Therapeutic significance:
Understanding the role of Histone H3.3C could open doors to potential therapeutic strategies.