Focused On-demand Library for 5-aminolevulinate synthase, erythroid-specific, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P22557

UPID:

HEM0_HUMAN

Alternative names:

5-aminolevulinic acid synthase 2; Delta-ALA synthase 2; Delta-aminolevulinate synthase 2

Alternative UPACC:

P22557; A8K3F0; A8K6C4; Q13735; Q5JZF5; Q8N6H3

Background:

5-aminolevulinate synthase, erythroid-specific, mitochondrial (ALAS2), also known as 5-aminolevulinic acid synthase 2, plays a pivotal role in heme biosynthesis. It catalyzes the first step in the pathway, the condensation of succinyl-CoA and glycine, forming aminolevulinic acid (ALA), a crucial precursor for heme. This process is essential for erythropoiesis, the production of red blood cells.

Therapeutic significance:

ALAS2 mutations are linked to sideroblastic anemia and X-linked dominant erythropoietic protoporphyria, diseases characterized by anemia, systemic iron overload, and photosensitivity. Understanding ALAS2's role could lead to novel treatments for these conditions, highlighting its therapeutic significance.