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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NR45
UPID:
SIAS_HUMAN
Alternative names:
N-acetylneuraminate synthase; N-acetylneuraminate-9-phosphate synthase; N-acetylneuraminic acid phosphate synthase; N-acetylneuraminic acid synthase
Alternative UPACC:
Q9NR45; B2RE98; Q8WUV9; Q9BWS6; Q9NVD4
Background:
Sialic acid synthase, known by alternative names such as N-acetylneuraminate synthase and N-acetylneuraminic acid synthase, plays a pivotal role in the biosynthesis of sialic acids. These acids are crucial components of glycoproteins and glycolipids, serving as key elements in cellular recognition processes. The enzyme's ability to produce N-acetylneuraminic acid (Neu5Ac) and 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid (KDN) underscores its significance in cellular physiology.
Therapeutic significance:
The enzyme's link to Spondyloepimetaphyseal dysplasia, Genevieve type, a disorder marked by developmental delays and skeletal dysplasia, highlights its therapeutic potential. Understanding the role of Sialic acid synthase could open doors to potential therapeutic strategies for treating this genetic condition.