Focused On-demand Library for Neuroendocrine convertase 1

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.

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 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

P29120

UPID:

NEC1_HUMAN

Alternative names:

Prohormone convertase 1; Proprotein convertase 1

Alternative UPACC:

P29120; B7Z8T7; E9PHA1; P78478; Q92532

Background:

Neuroendocrine convertase 1, also known as Prohormone convertase 1 or Proprotein convertase 1, plays a crucial role in the processing of hormone and protein precursors. This enzyme operates at specific sites characterized by pairs of basic amino acid residues, targeting substrates such as POMC, renin, enkephalin, dynorphin, somatostatin, insulin, and AGRP. Its activity is essential for the proper maturation and function of these biologically active peptides.

Therapeutic significance:

Proprotein convertase 1 deficiency is a condition marked by obesity, hypogonadism, hypoadrenalism, reactive hypoglycemia, and significant small-intestinal absorptive dysfunction, attributed to impaired prohormone processing. Understanding the role of Neuroendocrine convertase 1 could open doors to potential therapeutic strategies for this and related disorders.