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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q8TB37
UPID:
NUBPL_HUMAN
Alternative names:
IND1 homolog; Nucleotide-binding protein-like; huInd1
Alternative UPACC:
Q8TB37; B4DHZ1; Q86TZ4; Q9H9M2
Background:
Iron-sulfur protein NUBPL, also known as IND1 homolog, plays a crucial role in the assembly of mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I). It is pivotal in delivering Fe-S clusters to complex I subunits, essential for cellular energy production.
Therapeutic significance:
Given its involvement in mitochondrial complex I deficiency, nuclear type 21, a condition with a broad spectrum of severity, understanding the role of Iron-sulfur protein NUBPL could open doors to potential therapeutic strategies for a range of mitochondrial disorders.