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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P30531
UPID:
SC6A1_HUMAN
Alternative names:
Solute carrier family 6 member 1
Alternative UPACC:
P30531; Q8N4K8
Background:
Sodium- and chloride-dependent GABA transporter 1, also known as Solute carrier family 6 member 1, plays a crucial role in the nervous system. It mediates the transport of gamma-aminobutyric acid (GABA) along with sodium and chloride, facilitating the reuptake of GABA from the synapse. This process is vital for regulating neurotransmission and maintaining synaptic homeostasis.
Therapeutic significance:
Given its pivotal role in GABAergic neurotransmission, Sodium- and chloride-dependent GABA transporter 1 is directly linked to Myoclonic-atonic epilepsy, a condition marked by seizures and intellectual disability. Targeting this transporter could offer novel therapeutic avenues for managing epilepsy and potentially other GABA-related disorders.