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.
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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13057
UPID:
COASY_HUMAN
Alternative names:
NBP; POV-2
Alternative UPACC:
Q13057; B2RA78; B4DLU0; Q6GS23; Q8NBM7; Q8NEW1; Q8WXD4; Q9NRM3
Background:
Bifunctional coenzyme A synthase, known alternatively as NBP or POV-2, plays a crucial role in the CoA biosynthetic pathway. It catalyzes two sequential steps essential for CoA production, involving the coaD and coaE domains for specific reactions. This protein's activity is pivotal for cellular energy and fatty acid metabolism.
Therapeutic significance:
Linked to Neurodegeneration with brain iron accumulation 6 and Pontocerebellar hypoplasia 12, Bifunctional coenzyme A synthase's dysfunction underscores its potential as a therapeutic target. Understanding its role could lead to novel treatments for these debilitating neurodegenerative disorders.