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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q6DN90
UPID:
IQEC1_HUMAN
Alternative names:
ADP-ribosylation factors guanine nucleotide-exchange protein 100; ADP-ribosylation factors guanine nucleotide-exchange protein 2; Brefeldin-resistant Arf-GEF 2 protein
Alternative UPACC:
Q6DN90; A0A087WWK8; O94863; Q96D85
Background:
IQ motif and SEC7 domain-containing protein 1, also known as ADP-ribosylation factors guanine nucleotide-exchange protein 100, plays a pivotal role in neuronal development and vesicle formation. It acts as a guanine nucleotide exchange factor for ARF1 and ARF6, enhancing their GTP binding and is crucial for the internalization of beta-1 integrin and synaptic AMPAR receptors.
Therapeutic significance:
This protein's involvement in intellectual developmental disorder with short stature and behavioral abnormalities highlights its potential as a target for therapeutic intervention. Understanding the role of IQ motif and SEC7 domain-containing protein 1 could open doors to potential therapeutic strategies.