Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NB16
UPID:
MLKL_HUMAN
Alternative names:
-
Alternative UPACC:
Q8NB16; A6NCE4; Q8N6V0
Background:
Mixed lineage kinase domain-like protein (MLKL) is identified as a pivotal player in TNF-induced necroptosis, a form of programmed cell death distinct from apoptosis. Despite lacking kinase activity, MLKL's activation through phosphorylation by RIPK3 is crucial for its role in necroptosis, leading to plasma membrane damage and cell death. This process is not only limited to the cytoplasm but also occurs in the nucleus in response to viral infections, highlighting MLKL's versatile role in cellular defense mechanisms.
Therapeutic significance:
Understanding the role of Mixed lineage kinase domain-like protein could open doors to potential therapeutic strategies.