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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NPJ1
UPID:
MKKS_HUMAN
Alternative names:
Bardet-Biedl syndrome 6 protein; McKusick-Kaufman/Bardet-Biedl syndromes putative chaperonin
Alternative UPACC:
Q9NPJ1; A8K7B0; D3DW18
Background:
The Molecular chaperone MKKS, also known as Bardet-Biedl syndrome 6 protein, plays a crucial role in protein folding with ATP hydrolysis. It is instrumental in the assembly of BBSome, a complex essential for ciliogenesis and vesicle transport to cilia, impacting limb, cardiac, and reproductive system development.
Therapeutic significance:
Given its involvement in McKusick-Kaufman syndrome and Bardet-Biedl syndrome 6, characterized by developmental disorders and congenital anomalies, targeting MKKS could offer novel therapeutic avenues for these genetic conditions.