Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.
Our library stands out due to several important features:
partner
Reaxense
upacc
P33763
UPID:
S10A5_HUMAN
Alternative names:
Protein S-100D; S100 calcium-binding protein A5
Alternative UPACC:
P33763; Q52LE7; Q5RHS3
Background:
Protein S100-A5, also known as Protein S-100D and S100 calcium-binding protein A5, plays a crucial role in cellular processes through its ability to bind calcium, zinc, and copper ions. Its unique binding capabilities allow one subunit to simultaneously bind two calcium ions or two copper ions plus one zinc ion, with calcium and copper ions competing for the same sites.
Therapeutic significance:
Understanding the role of Protein S100-A5 could open doors to potential therapeutic strategies. Its ion-binding properties suggest a significant role in cellular signaling pathways, which could be pivotal in developing treatments for conditions where these pathways are disrupted.