Focused On-demand Library for Lysine-specific demethylase 5C

Focused On-demand Libraries - Receptor.AI 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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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
Receptor.AI
 
UPACC
P41229

UPID:
KDM5C_HUMAN

ALTERNATIVE NAMES:
Histone demethylase JARID1C; Jumonji/ARID domain-containing protein 1C; Protein SmcX; Protein Xe169; [histone H3]-trimethyl-L-lysine(4) demethylase 5C

ALTERNATIVE UPACC:
P41229; B0QZ44; B4E3I2; F5H3T1; Q5JUX3; Q5JUX4; Q5JUX5; Q7Z5S5

BACKGROUND:
The protein Lysine-specific demethylase 5C, alternatively named Histone demethylase JARID1C, targets 'Lys-4' on histone H3 for demethylation, excluding other lysine residues. This specificity underlines its role in the histone code. It also represses neuronal gene transcription by associating with histone deacetylases and REST, affecting neuron-restrictive silencer elements.

THERAPEUTIC SIGNIFICANCE:
Mutations in this protein are causative for Intellectual developmental disorder, X-linked, syndromic, Claes-Jensen type, manifesting as intellectual disability and other variable features. The exploration of Lysine-specific demethylase 5C's function offers promising avenues for developing targeted therapies for this genetic disorder.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 7910 of 8789