Focused On-demand Library for G1/S-specific cyclin-D3

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.

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

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 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

P30281

UPID:

CCND3_HUMAN

Alternative names:

Alternative UPACC:

P30281; B2RD63; B3KQ22; E9PAS4; E9PB36; Q5T8J0; Q6FG62; Q96F49

Background:

G1/S-specific cyclin-D3, encoded by the gene with accession number P30281, plays a pivotal role in cell cycle regulation. It forms a complex with CDK4, phosphorylating and inhibiting retinoblastoma protein family members, thus facilitating the G(1)/S transition. This process is crucial for cell proliferation, as it allows the transcription of E2F target genes, driving the cell cycle forward. Additionally, cyclin D3-CDK4 complexes integrate various signals, balancing mitogenic and antimitogenic cues, and participate in nuclear translocation and activation of the cyclin D-CDK4 complex.

Therapeutic significance:

Understanding the role of G1/S-specific cyclin-D3 could open doors to potential therapeutic strategies. Its central function in cell cycle regulation makes it a potential target for interventions in diseases characterized by uncontrolled cell proliferation.