Focused On-demand Library for Cytosolic 10-formyltetrahydrofolate dehydrogenase

Focused On-demand Libraries - Reaxense Collaboration

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 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 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 employ our advanced, specialised process to create targeted 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

O75891

UPID:

AL1L1_HUMAN

Alternative names:

Aldehyde dehydrogenase family 1 member L1

Alternative UPACC:

O75891; B4DG36; E9PBX3; Q68CS1; Q8TBP8

Background:

Cytosolic 10-formyltetrahydrofolate dehydrogenase, also known as Aldehyde dehydrogenase family 1 member L1, plays a crucial role in cellular metabolism. It catalyzes the NADP(+)-dependent conversion of 10-formyltetrahydrofolate to tetrahydrofolate and carbon dioxide, essential for DNA synthesis and repair. This enzyme's potential aldehyde dehydrogenase activity towards various aldehydes underscores its versatility in cellular processes.

Therapeutic significance:

Understanding the role of Cytosolic 10-formyltetrahydrofolate dehydrogenase could open doors to potential therapeutic strategies. Its involvement in fundamental cellular processes highlights its potential as a target for drug discovery, aiming to modulate its activity for therapeutic benefits.