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 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.
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 stands out due to several important features:
partner
Reaxense
upacc
Q99624
UPID:
S38A3_HUMAN
Alternative names:
N-system amino acid transporter 1; Na(+)-coupled neutral amino acid transporter 3; Solute carrier family 38 member 3; System N amino acid transporter 1
Alternative UPACC:
Q99624; B2R8Q0; Q6IB34
Background:
Sodium-coupled neutral amino acid transporter 3, also known as Solute carrier family 38 member 3, plays a crucial role in the brain's glutamate-GABA-glutamine cycle. It transports L-glutamine, L-histidine, and L-asparagine, facilitating neurotransmitter replenishment. This protein's activity is pH-dependent, electroneutral, and operates in both directions based on substrate and ion gradients.
Therapeutic significance:
Linked to Developmental and epileptic encephalopathy 102, a severe early-onset epilepsy, understanding Sodium-coupled neutral amino acid transporter 3's function could pave the way for novel therapeutic approaches targeting this and potentially other neurological disorders.