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.
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.
Our top-notch dedicated system is used to design specialised 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
Q6IPM2
UPID:
IQCE_HUMAN
Alternative names:
-
Alternative UPACC:
Q6IPM2; Q4G0P7; Q6P7T4; Q9H0H7; Q9UPX7
Background:
IQ domain-containing protein E plays a crucial role in limb morphogenesis and is a key component of the EvC complex, enhancing ciliary Hedgehog signaling. This protein's involvement in developmental processes underscores its biological significance.
Therapeutic significance:
Given its pivotal role in limb development and association with Polydactyly, postaxial, A7, targeting IQ domain-containing protein E presents a promising avenue for therapeutic intervention in limb malformation disorders.