Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9HC10
UPID:
OTOF_HUMAN
Alternative names:
Fer-1-like protein 2
Alternative UPACC:
Q9HC10; B4DJX0; B5MCC1; B9A0H6; Q53R90; Q9HC08; Q9HC09; Q9Y650
Background:
Otoferlin, encoded by the gene with accession number Q9HC10, is a pivotal calcium ion sensor critical for synaptic vesicle-plasma membrane fusion and neurotransmitter release in cochlear inner hair cells (IHCs). It interacts with presynaptic SNARE proteins in a calcium-dependent manner, facilitating exocytosis of neurotransmitters. Otoferlin's role extends to synaptic exocytosis in outer hair cells (OHCs) and possibly in the recycling of endosomes.
Therapeutic significance:
Otoferlin is directly implicated in two forms of sensorineural hearing loss: Deafness, autosomal recessive, 9, and Auditory neuropathy, autosomal recessive, 1. These conditions underscore the protein's critical role in auditory processing. Understanding the role of Otoferlin could open doors to potential therapeutic strategies for these hearing impairments.