Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O75553
UPID:
DAB1_HUMAN
Alternative names:
-
Alternative UPACC:
O75553; A4FU90; B3KTG3; Q4LE59; Q5T6M6; Q5T6M9; Q5T835; Q5T836; Q5T837; Q6NWS9; Q6NWT0; Q6NWT1; Q9NYA8
Background:
Disabled homolog 1 (DAB1) is a pivotal adapter molecule involved in neural development. Its role is crucial in mediating the signaling pathways that influence the proper development of the nervous system. DAB1's function includes the regulation of SIAH1 activity, an E3 ubiquitin-protein ligase, indicating its involvement in protein degradation processes essential for neuronal differentiation and migration.
Therapeutic significance:
Spinocerebellar ataxia 37 (SCA37) is directly linked to variants affecting the DAB1 gene, showcasing its critical role in neurological disorders. This autosomal dominant condition manifests as progressive incoordination and cerebellar atrophy, highlighting the therapeutic potential of targeting DAB1 in developing treatments for cerebellar degeneration.