Focused On-demand Library for Syntaxin-binding protein 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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P61764

UPID:

STXB1_HUMAN

Alternative names:

MUNC18-1; N-Sec1; Protein unc-18 homolog 1; Protein unc-18 homolog A; p67

Alternative UPACC:

P61764; B1AM97; Q28208; Q62759; Q64320; Q68CM6; Q96TG8

Background:

Syntaxin-binding protein 1, known by alternative names such as MUNC18-1 and Protein unc-18 homolog 1, plays a pivotal role in neurotransmission. It regulates synaptic vesicle docking and fusion by interacting with GTP-binding proteins and syntaxins, essential components of the synaptic vesicle fusion machinery. Its interaction with SNARE complex component STX1A facilitates the assembly of the SNARE complex at synaptic membranes, crucial for the release of neurotransmitters from neurons.

Therapeutic significance:

The protein's involvement in Developmental and epileptic encephalopathy 4, a severe form of epilepsy, underscores its therapeutic significance. Understanding the role of Syntaxin-binding protein 1 in this condition could open doors to potential therapeutic strategies, offering hope for targeted interventions in epilepsy and related neurological disorders.