Focused On-demand Library for 5-hydroxytryptamine receptor 1D

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 use our state-of-the-art dedicated workflow for designing focused libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible mechanisms of action.

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

P28221

UPID:

5HT1D_HUMAN

Alternative names:

Serotonin 1D alpha receptor; Serotonin receptor 1D

Alternative UPACC:

P28221

Background:

The 5-hydroxytryptamine receptor 1D, also known as the Serotonin 1D alpha receptor or Serotonin receptor 1D, plays a pivotal role in neurotransmission. It acts as a G-protein coupled receptor for serotonin and various psychoactive substances, triggering signaling pathways that inhibit adenylate cyclase activity. This process is crucial for regulating serotonin release in the brain, influencing neural activity and potentially affecting the release of other neurotransmitters.

Therapeutic significance:

Understanding the role of the 5-hydroxytryptamine receptor 1D could open doors to potential therapeutic strategies. Its involvement in neurotransmitter regulation makes it a promising target for addressing disorders related to serotonin imbalance.