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.
Our high-tech, dedicated method is applied to construct 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q8NGC2
UPID:
OR4E2_HUMAN
Alternative names:
Olfactory receptor OR14-42
Alternative UPACC:
Q8NGC2; Q6IET6; Q96R62
Background:
Olfactory receptor 4E2, alternatively known as OR14-42, plays a pivotal role in the detection of organosulfur odorants, including (methylthio)methanethiol (MTMT) and bis(methylthiomethyl) disulfide. This receptor's activation by specific odorants is mediated through G proteins, leading to the activation of adenylyl cyclase, highlighting its essential function in olfactory signaling pathways.
Therapeutic significance:
Understanding the role of Olfactory receptor 4E2 could open doors to potential therapeutic strategies.