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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P35240
UPID:
MERL_HUMAN
Alternative names:
Moesin-ezrin-radixin-like protein; Neurofibromin-2; Schwannomerlin; Schwannomin
Alternative UPACC:
P35240; O95683; Q8WUJ2; Q969N0; Q969Q3; Q96T30; Q96T31; Q96T32; Q96T33; Q9BTW3; Q9UNG9; Q9UNH3; Q9UNH4
Background:
Merlin, also known as Neurofibromin-2, plays a crucial role in the Hippo/SWH signaling pathway, pivotal for tumor suppression by promoting apoptosis and restricting proliferation. It functions as a membrane stabilizing protein and may inhibit PI3 kinase, highlighting its significance in cellular regulation and tumorigenesis prevention.
Therapeutic significance:
Merlin's involvement in diseases such as Neurofibromatosis 2, Schwannomatosis 1, and malignant Mesothelioma underscores its therapeutic potential. Targeting Merlin's pathway could lead to innovative treatments for these conditions, emphasizing the importance of further research into its mechanisms.