AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for GPI mannosyltransferase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9H3S5

UPID:

PIGM_HUMAN

Alternative names:

GPI mannosyltransferase I; Phosphatidylinositol-glycan biosynthesis class M protein

Alternative UPACC:

Q9H3S5

Background:

GPI mannosyltransferase 1, also known as GPI mannosyltransferase I and Phosphatidylinositol-glycan biosynthesis class M protein, plays a crucial role in glycosylphosphatidylinositol-anchor biosynthesis. This enzyme is responsible for transferring the first alpha-1,4-mannose to GlcN-acyl-PI during GPI precursor assembly, a key step in cell surface protein anchoring.

Therapeutic significance:

GPI mannosyltransferase 1 is implicated in Glycosylphosphatidylinositol biosynthesis defect 1, a disorder marked by portal vein thrombosis, portal hypertension, and early-onset cerebral infarctions among other symptoms. Understanding the role of GPI mannosyltransferase 1 could open doors to potential therapeutic strategies for this autosomal recessive disorder.

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