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.
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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P48449
UPID:
LSS_HUMAN
Alternative names:
2,3-epoxysqualene--lanosterol cyclase; Oxidosqualene--lanosterol cyclase
Alternative UPACC:
P48449; B4DJZ9; D3DSN0; E9PEI9; G5E9Q9; Q8IYL6; Q9UEZ1
Background:
Lanosterol synthase, also known as 2,3-epoxysqualene--lanosterol cyclase, plays a pivotal role in the cholesterol biosynthesis pathway by catalyzing the conversion of (S)-2,3 oxidosqualene to lanosterol. This enzyme is crucial for the formation of the sterol nucleus, laying the foundation for the synthesis of all steroids.
Therapeutic significance:
The enzyme's involvement in conditions such as Cataract 44, Hypotrichosis 14, and Alopecia-intellectual disability syndrome 4 highlights its potential as a therapeutic target. Understanding the role of Lanosterol synthase could open doors to potential therapeutic strategies for these diseases.