Focused On-demand Library for Ras/Rap GTPase-activating protein SynGAP

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q96PV0

UPID:

SYGP1_HUMAN

Alternative names:

Neuronal RasGAP; Synaptic Ras GTPase-activating protein 1

Alternative UPACC:

Q96PV0; A2AB17; A2BEL6; A2BEL7; A8MQC4; Q8TCS2; Q9UGE2

Background:

Ras/Rap GTPase-activating protein SynGAP, also known as Neuronal RasGAP and Synaptic Ras GTPase-activating protein 1, plays a pivotal role in postsynaptic signaling. It is a major constituent of the PSD, essential for synaptic plasticity, and acts as an inhibitory regulator of the Ras-cAMP pathway. SynGAP's involvement in NMDAR signaling complex at excitatory synapses contributes to the control of AMPAR potentiation and membrane trafficking.

Therapeutic significance:

SynGAP is linked to Intellectual developmental disorder, autosomal dominant 5, characterized by developmental delays, intellectual disability, and possible epilepsy and autism. Understanding the role of SynGAP could open doors to potential therapeutic strategies for these conditions.