Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 employ our advanced, specialised process to create targeted 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
Q96RD7
UPID:
PANX1_HUMAN
Alternative names:
-
Alternative UPACC:
Q96RD7; O75968; Q543A0; Q6UW26; Q96AM9; Q96L77; Q96RS5
Background:
Pannexin-1 serves as a structural component of gap junctions and hemichannels, facilitating ATP release and nucleotide permeation. It is implicated in Ca(2+)-leak channel activity, regulating ER Ca(2+) homeostasis, and plays a pivotal role in oogenesis.
Therapeutic significance:
Linked to 'Oocyte/zygote/embryo maturation arrest 7', a disorder of autosomal dominant infertility, understanding Pannexin-1's function could unveil new therapeutic avenues.