Focused On-demand Library for Monofunctional C1-tetrahydrofolate synthase, mitochondrial

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 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.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q6UB35

UPID:

C1TM_HUMAN

Alternative names:

Formyltetrahydrofolate synthetase

Alternative UPACC:

Q6UB35; Q2TBF3; Q8WVW0; Q96HG8; Q9H789; Q9UFU8

Background:

Monofunctional C1-tetrahydrofolate synthase, mitochondrial, also known as Formyltetrahydrofolate synthetase, plays a crucial role in mammalian metabolism. It bridges the mitochondria and cytoplasm in one-carbon folate metabolism, complementing MTHFD2 enzymatic activities. This protein's unique function underscores its importance in cellular metabolic processes.

Therapeutic significance:

Understanding the role of Monofunctional C1-tetrahydrofolate synthase, mitochondrial could open doors to potential therapeutic strategies. Its pivotal role in metabolism suggests that insights into its function could lead to breakthroughs in treating metabolic disorders.