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 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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P20839
UPID:
IMDH1_HUMAN
Alternative names:
IMPDH-I
Alternative UPACC:
P20839; A4D0Z6; A4D0Z7; A6NDW5; A6NNI6; B3KNP7; B3KVM8; B4DE09; C9JV30; J3KNX8; Q8N194; Q96NU2
Background:
Inosine-5'-monophosphate dehydrogenase 1 (IMPDH-I) catalyzes the conversion of inosine 5'-phosphate (IMP) to xanthosine 5'-phosphate (XMP), marking a crucial step in guanine nucleotide synthesis. This enzyme's activity is pivotal for cell growth regulation, potentially influencing RNA and DNA metabolism, and may contribute to tumor growth and malignancy development.
Therapeutic significance:
IMPDH-I's involvement in Retinitis pigmentosa 10 and Leber congenital amaurosis 11, diseases characterized by severe retinal dystrophy, underscores its therapeutic potential. Targeting IMPDH-I could lead to innovative treatments for these debilitating visual impairments.