Focused On-demand Library for Runt-related transcription factor 2

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

Our top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q13950

UPID:

RUNX2_HUMAN

Alternative names:

Acute myeloid leukemia 3 protein; Core-binding factor subunit alpha-1; Oncogene AML-3; Osteoblast-specific transcription factor 2; Polyomavirus enhancer-binding protein 2 alpha A subunit; SL3-3 enhancer factor 1 alpha A subunit; SL3/AKV core-binding factor alpha A subunit

Alternative UPACC:

Q13950; O14614; O14615; O95181

Background:

Runt-related transcription factor 2 (RUNX2) is a pivotal transcription factor involved in osteoblastic differentiation and skeletal morphogenesis. It plays a crucial role in the maturation of osteoblasts and is essential for both intramembranous and endochondral ossification. RUNX2's ability to bind to various enhancers and promoters facilitates the transcription of genes critical for bone development and homeostasis.

Therapeutic significance:

RUNX2's involvement in diseases such as Cleidocranial dysplasia 1 and Metaphyseal dysplasia with maxillary hypoplasia underscores its therapeutic significance. Understanding the role of RUNX2 could open doors to potential therapeutic strategies for these skeletal disorders, highlighting the importance of targeted research in uncovering novel treatments.