Focused On-demand Library for Growth/differentiation factor 3

Focused On-demand Libraries - Reaxense 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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast 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

Q9NR23

UPID:

GDF3_HUMAN

Alternative names:

Alternative UPACC:

Q9NR23; Q8NEJ4

Background:

Growth/differentiation factor 3 (GDF3) plays a pivotal role in early embryonic development and adipose-tissue regulation. It orchestrates the formation of anterior visceral endoderm and mesoderm, establishing anterior-posterior identity through interactions with the ACVR1B receptor and TDGF1/Cripto coreceptor. Additionally, GDF3 is instrumental in maintaining adipose-tissue homeostasis and energy balance, particularly under conditions of nutrient overload, by signaling through a receptor complex that includes ACVR1C and TDGF1/Cripto.

Therapeutic significance:

GDF3's involvement in Klippel-Feil syndrome 3, autosomal dominant, and eye formation disorders such as Microphthalmia, isolated, with coloboma, 6, and Microphthalmia, isolated, 7, underscores its therapeutic potential. Understanding the role of Growth/differentiation factor 3 could open doors to potential therapeutic strategies for these conditions.