Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BPX6
UPID:
MICU1_HUMAN
Alternative names:
Atopy-related autoantigen CALC; Calcium-binding atopy-related autoantigen 1
Alternative UPACC:
Q9BPX6; A8MV96; B3KN20; B4DJH9; B4DPI1; B5MBY3; D3YTJ3; O75785; Q9H9N6; Q9UFX0
Background:
Calcium uptake protein 1, mitochondrial, also known as MICU1, plays a pivotal role in regulating the mitochondrial calcium uniporter (MCU). It acts as a gatekeeper, modulating MCU activity in response to cytoplasmic calcium levels. MICU1's ability to sense calcium through its EF-hand domains enables it to either stimulate or inhibit mitochondrial calcium uptake, crucial for cellular energy production and signaling.
Therapeutic significance:
The involvement of MICU1 in Myopathy with extrapyramidal signs, a disorder characterized by muscle weakness and involuntary movements, underscores its therapeutic potential. Targeting MICU1's regulatory mechanism could lead to innovative treatments for this and related mitochondrial dysfunction diseases.