Focused On-demand Library for Cellular tumor antigen p53

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.

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

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

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 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

P04637

UPID:

P53_HUMAN

Alternative names:

Antigen NY-CO-13; Phosphoprotein p53; Tumor suppressor p53

Alternative UPACC:

P04637; Q15086; Q15087; Q15088; Q16535; Q16807; Q16808; Q16809; Q16810; Q16811; Q16848; Q2XN98; Q3LRW1; Q3LRW2; Q3LRW3; Q3LRW4; Q3LRW5; Q86UG1; Q8J016; Q99659; Q9BTM4; Q9HAQ8; Q9NP68; Q9NPJ2; Q9NZD0; Q9UBI2; Q9UQ61

Background:

Cellular tumor antigen p53, also known as Phosphoprotein p53 or Tumor suppressor p53, plays a pivotal role in preventing cancer formation. Through its ability to act as a tumor suppressor in various tumor types, p53 induces growth arrest or apoptosis depending on cell type and physiological circumstances. It is involved in cell cycle regulation, negatively regulating cell division by controlling genes required for this process.

Therapeutic significance:

Given its involvement in diseases such as Esophageal cancer, Li-Fraumeni syndrome, Squamous cell carcinoma of the head and neck, Lung cancer, and several others, targeting p53 for therapeutic intervention could revolutionize cancer treatment. Understanding the role of Cellular tumor antigen p53 could open doors to potential therapeutic strategies.