Focused On-demand Library for RNA cytosine C(5)-methyltransferase NSUN2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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

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 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

Q08J23

UPID:

NSUN2_HUMAN

Alternative names:

Myc-induced SUN domain-containing protein; NOL1/NOP2/Sun domain family member 2; Substrate of AIM1/Aurora kinase B; mRNA cytosine C(5)-methyltransferase; tRNA cytosine C(5)-methyltransferase; tRNA methyltransferase 4 homolog

Alternative UPACC:

Q08J23; A8K529; B2RNR4; B3KP09; B4DQW2; G3V1R4; Q9BVN4; Q9H858; Q9NXD9

Background:

RNA cytosine C(5)-methyltransferase NSUN2, also known as Myc-induced SUN domain-containing protein and tRNA methyltransferase 4 homolog, plays a pivotal role in RNA modification. It specifically methylates cytosine to 5-methylcytosine (m5C) in various RNAs, including tRNAs, mRNAs, and long non-coding RNAs, facilitating processes such as epidermal stem cell differentiation, testis differentiation, and early developmental transitions. This methylation enhances RNA stability, prevents mRNA decay, and is crucial for the generation of RNA fragments derived from tRNAs.

Therapeutic significance:

NSUN2's involvement in Intellectual developmental disorder, autosomal recessive 5, underscores its potential as a therapeutic target. Understanding the role of RNA cytosine C(5)-methyltransferase NSUN2 could open doors to potential therapeutic strategies, offering hope for interventions in genetic disorders linked to RNA methylation.