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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P50570
UPID:
DYN2_HUMAN
Alternative names:
-
Alternative UPACC:
P50570; A8K1B6; E7EV30; E9PEQ4; K7ESI9; Q5I0Y0; Q7Z5S3; Q9UPH4
Background:
Dynamin-2, a microtubule-associated protein, plays a pivotal role in cellular processes such as neuron morphology regulation, axon growth, and vesicular trafficking, including endocytosis and cytokinesis. Its ability to bind and hydrolyze GTP contributes to the formation of microtubule bundles and neuronal growth cones, highlighting its significance in cellular dynamics and structure.
Therapeutic significance:
Dynamin-2 is implicated in several neuromuscular and neurodegenerative disorders, including Myopathy, centronuclear, 1, Lethal congenital contracture syndrome 5, and different forms of Charcot-Marie-Tooth disease. Understanding the role of Dynamin-2 in these conditions could lead to the development of targeted therapies, offering hope for patients suffering from these debilitating diseases.