#gpcrs — Public Fediverse posts

Harnessing Designer Muscarinic GPCRs for Research

🧩 DREADD technology enables specific signal modulation

#GPCRs #DREADD #Neuroscience #Pharmacology #Science

https://tnyp.me/kGMOwdqN/m #Pub2Post

Harnessing Designer Muscarinic GPCRs for Research

🧩 DREADD technology enables specific signal modulation

#GPCRs #DREADD #Neuroscience #Pharmacology #Science

https://tnyp.me/kGMOwdqN/m #Pub2Post

Evolving GPCRs for Activation by Inert Ligands
🧪 GPCRs activated by inert clozapine-N-oxide
✨ 5 muscarinic ACH receptor subtypes created
🔬 Mimicked parent receptor signaling
🧠 hM4D receptor silenced neurons
#GPCRs #Neuroscience #Biochemistry #Pub2Post https://tnyp.me/kGMOwdqN/m

#Lysophosphatidylserine is a lipid signalling molecule implicated in a range of #immune-related processes. This study reveals the mechanism of #LysoPS recognition by two #GPCRs, GPR34 & GPR174, with implications for drug discovery #PLOSBiology https://plos.io/3T9ryVM

Some of my colleagues at Schrödinger recently published a preprint on a robust protocol to dock ligands into GPCR structures (or Alphafold models) and wrote a blog post about it.

Blog post:
https://extrapolations.com/can-alphafold-models-be-used-for-structure-based-drug-design-a-perspective-two-years-in/

Preprint:
https://chemrxiv.org/engage/chemrxiv/article-details/64caab6edfabaf06ff98c583

#GPCRs #Docking #AlphaFold2

First preprint about my work at Schrödinger:

We show how to predict ligand efficacy via absolute binding free energy perturbation on different receptor conformations — confirming and utilizing the principle that the functional response of a receptor is mainly determined by the thermodynamics of ligand binding.

https://chemrxiv.org/engage/chemrxiv/article-details/64b1cccaae3d1a7b0db45aa8

#FEP #FreeEnergy #LigandEfficacy #GPCR #DrugDiscovery #DrugDesign #Thermodynamics #GPCRs #BindingFreeEnergy

First preprint about my work at Schrödinger:

We show how to predict ligand efficacy via absolute binding free energy perturbation on different receptor conformations — confirming and utilizing the principle that the functional response of a receptor is mainly determined by the thermodynamics of ligand binding.

https://chemrxiv.org/engage/chemrxiv/article-details/64b1cccaae3d1a7b0db45aa8

#FEP #FreeEnergy #LigandEfficacy #GPCR #DrugDiscovery #DrugDesign #Thermodynamics #GPCRs #BindingFreeEnergy

First preprint about my work at Schrödinger:

We show how to predict ligand efficacy via absolute binding free energy perturbation on different receptor conformations — confirming and utilizing the principle that the functional response of a receptor is mainly determined by the thermodynamics of ligand binding.

https://chemrxiv.org/engage/chemrxiv/article-details/64b1cccaae3d1a7b0db45aa8

#FEP #FreeEnergy #LigandEfficacy #GPCR #DrugDiscovery #DrugDesign #Thermodynamics #GPCRs #BindingFreeEnergy

First preprint about my work at Schrödinger:

We show how to predict ligand efficacy via absolute binding free energy perturbation on different receptor conformations — confirming and utilizing the principle that the functional response of a receptor is mainly determined by the thermodynamics of ligand binding.

https://chemrxiv.org/engage/chemrxiv/article-details/64b1cccaae3d1a7b0db45aa8

#FEP #FreeEnergy #LigandEfficacy #GPCR #DrugDiscovery #DrugDesign #Thermodynamics #GPCRs #BindingFreeEnergy

First preprint about my work at Schrödinger:

We show how to predict ligand efficacy via absolute binding free energy perturbation on different receptor conformations — confirming and utilizing the principle that the functional response of a receptor is mainly determined by the thermodynamics of ligand binding.

https://chemrxiv.org/engage/chemrxiv/article-details/64b1cccaae3d1a7b0db45aa8

#FEP #FreeEnergy #LigandEfficacy #GPCR #DrugDiscovery #DrugDesign #Thermodynamics #GPCRs #BindingFreeEnergy

The 31 new deorphanized #neuropeptide #GPCRs from #Nematostella and the #phylogenetic trees also allowed us to predict the ligand for many receptors across #cnidarians. We hope that cnidarian researchers will functionally characterising these e.g. by #CRISPR, as the Houliston lab has done for the MIH receptor.
https://journals.plos.org/plosbiology/article?id=10.1371/journal.pbio.3000614
#evolution #neuroscience

By phylogenetic reconstruction, Daniel Thiel and Luis Yanez could show that #cnidarian #neuropeptide receptors diversified independent from #GPCRs in bilateria. This parallel #evolution and expansion confirms that cnidarians do not represent the ancestral state in neuronal signalling (as implied by terms like 'pre-bilaterian') any more than bilaterians.
#receptor #evolution #neuroscience #phylogeny