Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
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 use our state-of-the-art dedicated workflow for designing 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
Q9Y6R1
UPID:
S4A4_HUMAN
Alternative names:
Na(+)/HCO3(-) cotransporter; Solute carrier family 4 member 4; kNBC1
Alternative UPACC:
Q9Y6R1; C4B714; O15153; Q8NEJ2; Q9H262; Q9NRZ1; Q9UIC0; Q9UIC1; Q9UP50
Background:
Electrogenic sodium bicarbonate cotransporter 1, also known as Na(+)/HCO3(-) cotransporter, Solute carrier family 4 member 4, and kNBC1, plays a pivotal role in regulating bicarbonate influx/efflux at the basolateral membrane of cells. This regulation is crucial for maintaining intracellular pH balance, highlighting its significance in cellular physiology.
Therapeutic significance:
The protein is implicated in Renal tubular acidosis, proximal, with ocular abnormalities and impaired intellectual development, a rare autosomal recessive syndrome. This association underscores the protein's potential as a target for therapeutic intervention, aiming to alleviate the syndrome's multifaceted symptoms.