Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
Our high-tech, dedicated method is applied to construct targeted 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
Q9UI09
UPID:
NDUAC_HUMAN
Alternative names:
13 kDa differentiation-associated protein; Complex I-B17.2; NADH-ubiquinone oxidoreductase subunit B17.2
Alternative UPACC:
Q9UI09; F8VQS7; Q53XX0; Q9BRV6
Background:
NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12, also known as 13 kDa differentiation-associated protein, Complex I-B17.2, or NADH-ubiquinone oxidoreductase subunit B17.2, plays a crucial role in cellular energy production. It serves as an accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), facilitating the transfer of electrons from NADH to the respiratory chain, with ubiquinone as the immediate electron acceptor.
Therapeutic significance:
The protein is implicated in Mitochondrial complex I deficiency, nuclear type 23, a condition with a broad spectrum of severity, affecting various organs and leading to diseases such as Leigh syndrome and some forms of Parkinson disease. Understanding the role of NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 12 could open doors to potential therapeutic strategies for these mitochondrial disorders.