Focused On-demand Library for Muellerian-inhibiting factor

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive 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

P03971

UPID:

MIS_HUMAN

Alternative names:

Anti-Muellerian hormone; Muellerian-inhibiting substance

Alternative UPACC:

P03971; O75246; Q6GTN3

Background:

The Muellerian-inhibiting factor, also known as Anti-Muellerian hormone (AMH), plays a pivotal role in reproductive biology. It is crucial for Muellerian duct regression during male fetal sexual differentiation, Leydig cell differentiation, and function. In females, AMH acts as a negative regulator of the primordial to primary follicle transition and modulates FSH sensitivity of growing follicles. AMH functions through binding to the AMHR2 receptor, which then interacts with ACVR1 and BMPR1A receptors to activate SMAD protein signaling, influencing gene expression.

Therapeutic significance:

AMH's involvement in Persistent Muellerian duct syndrome 1, a form of male pseudohermaphroditism, underscores its therapeutic potential. Understanding the role of Muellerian-inhibiting factor could open doors to potential therapeutic strategies for reproductive disorders and hormonal dysfunctions.