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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 employ our advanced, specialised process to create targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q53S33
UPID:
BOLA3_HUMAN
Alternative names:
-
Alternative UPACC:
Q53S33; G3XAB0
Background:
BolA-like protein 3 plays a crucial role in mitochondrial function, acting as an iron-sulfur (Fe-S) cluster assembly factor. It works alongside NFU1 to facilitate the insertion of Fe-S clusters into specific mitochondrial proteins, essential for cellular energy metabolism.
Therapeutic significance:
The protein is linked to Multiple mitochondrial dysfunctions syndrome 2 with hyperglycinemia, a severe metabolic disorder characterized by energy metabolism disruption, respiratory failure, and early death. Understanding the role of BolA-like protein 3 could open doors to potential therapeutic strategies for this condition.