Focused On-demand Library for Sex hormone-binding globulin

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P04278

UPID:

SHBG_HUMAN

Alternative names:

Sex steroid-binding protein; Testis-specific androgen-binding protein; Testosterone-estradiol-binding globulin; Testosterone-estrogen-binding globulin

Alternative UPACC:

P04278; B0FWH4; B4DYU0; E9PGW1; F5H5Z8; I3L1N7; P14689; Q16616; Q3MIL0; Q6ISD2

Background:

Sex hormone-binding globulin (SHBG), also known as testosterone-estradiol-binding globulin, plays a pivotal role in regulating the bioavailability of sex steroids in the bloodstream. By binding to androgens and estrogens, SHBG controls their activity and distribution, impacting various physiological processes.

Therapeutic significance:

Understanding the role of Sex hormone-binding globulin could open doors to potential therapeutic strategies. Its ability to modulate hormone levels suggests its involvement in hormone-related disorders, offering a promising target for drug discovery.