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.
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 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.
We utilise our cutting-edge, exclusive workflow to develop focused 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
Q05193
UPID:
DYN1_HUMAN
Alternative names:
-
Alternative UPACC:
Q05193; A6NLM6; Q5SYX0; Q5SYX2; Q6P3T6; Q86VD2
Background:
Dynamin-1, encoded by the gene with accession number Q05193, is a microtubule-associated force-producing protein. It plays a crucial role in producing microtubule bundles and is involved in vesicular trafficking processes, including receptor-mediated endocytosis. This protein is essential for cellular functions, such as signal transduction and intracellular transport.
Therapeutic significance:
Dynamin-1 is implicated in severe early-onset epilepsies, specifically Developmental and Epileptic Encephalopathy 31A and 31B. These conditions are characterized by refractory seizures and neurodevelopmental impairment, highlighting the protein's potential as a target for therapeutic intervention.