Focused On-demand Library for ATP-dependent RNA helicase DHX33

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.

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 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9H6R0

UPID:

DHX33_HUMAN

Alternative names:

DEAH box protein 33

Alternative UPACC:

Q9H6R0; B4DHF9; Q4G149; Q5CZ73; Q9H5M9

Background:

ATP-dependent RNA helicase DHX33, also known as DEAH box protein 33, plays a crucial role in nucleolar organization, ribosome biogenesis, and protein synthesis. It is essential for the transcription of 47S precursor rRNA, associating with ribosomal DNA loci to aid in POLR1A recruitment. Additionally, DHX33 is involved in the late stage of mRNA translation initiation, promoting the assembly of elongation-competent 80S ribosomes. Its ability to sense cytoplasmic dsRNA is vital for NLRP3 inflammasome formation in macrophages and type I interferon production in myeloid dendritic cells.

Therapeutic significance:

Understanding the role of ATP-dependent RNA helicase DHX33 could open doors to potential therapeutic strategies.