Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
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.