Structure‐based and fragment‐based GPCR drug discovery
SP Andrews, GA Brown, JA Christopher - ChemMedChem, 2014 - Wiley Online Library
G protein‐coupled receptors (GPCRs) are an important family of membrane proteins;
historically, drug discovery in this target class has been fruitful, with many of the world's top …
historically, drug discovery in this target class has been fruitful, with many of the world's top …
[PDF][PDF] Update 1 of: computational modeling approaches to structure–function analysis of G protein-coupled receptors
F Fanelli, PG De Benedetti - Chemical Reviews-Columbus, 2011 - researchgate.net
Any aspect of cell activity is regulated by extracellular signals that are recognized, decoded,
and transduced inside the cell via different classes of plasma membrane receptors. 1À3 G …
and transduced inside the cell via different classes of plasma membrane receptors. 1À3 G …
Methotrexate inhibits the binding of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) receptor binding domain to the host-cell angiotensin …
SK Kim, S Suebka, A Gin, PD Nguyen… - ACS Pharmacology & …, 2024 - ACS Publications
As the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus mutates,
finding effective drugs becomes more challenging. In this study, we use ultrasensitive …
finding effective drugs becomes more challenging. In this study, we use ultrasensitive …
The ÓMICAS alliance, an international research program on multi-omics for crop breeding optimization
The OMICAS alliance is part of the Colombian government's Scientific Ecosystem,
established between 2017-2018 to promote world-class research, technological …
established between 2017-2018 to promote world-class research, technological …
3D structure prediction of TAS2R38 bitter receptors bound to agonists phenylthiocarbamide (PTC) and 6-n-propylthiouracil (PROP)
The G protein-coupled receptor (GPCR) TAS2R38 is a bitter taste receptor that can respond
to bitter compounds such as phenylthiocarbamide (PTC) and 6-n-propylthiouracil (PROP) …
to bitter compounds such as phenylthiocarbamide (PTC) and 6-n-propylthiouracil (PROP) …
Structures and agonist binding sites of bitter taste receptor TAS2R5 complexed with Gi protein and validated against experiment
Bitter taste receptors (TAS2Rs) function in taste perception, but are also expressed in many
extraoral tissues, presenting attractive therapeutic targets. TAS2R5s expressed on human …
extraoral tissues, presenting attractive therapeutic targets. TAS2R5s expressed on human …
Identification and characterization of an atypical Gαs-biased β2AR agonist that fails to evoke airway smooth muscle cell tachyphylaxis
D Kim, A Tokmakova, LK Lujan… - Proceedings of the …, 2021 - National Acad Sciences
G protein–coupled receptors display multifunctional signaling, offering the potential for
agonist structures to promote conformational selectivity for biased outputs. For β2 …
agonist structures to promote conformational selectivity for biased outputs. For β2 …
Predicted structure of fully activated Tas1R3/1R3′ homodimer bound to G protein and natural sugars: Structural insights into G protein activation by a class C sweet …
A Mafi, SK Kim, KC Chou, B Guthrie… - Journal of the …, 2021 - ACS Publications
The Tas1R3 G protein-coupled receptor constitutes the main component of sweet taste
sensory response in humans via forming a heterodimer with Tas1R2 or a homodimer with …
sensory response in humans via forming a heterodimer with Tas1R2 or a homodimer with …
Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists
F Sirci, L Goracci, D Rodríguez… - Journal of computer …, 2012 - Springer
FLAP fingerprints are applied in the ligand-, structure-and pharmacophore-based mode in a
case study on antagonists of all four adenosine receptor (AR) subtypes. Structurally diverse …
case study on antagonists of all four adenosine receptor (AR) subtypes. Structurally diverse …
Ligand-and mutation-induced conformational selection in the CCR5 chemokine G protein-coupled receptor
R Abrol, B Trzaskowski… - Proceedings of the …, 2014 - National Acad Sciences
We predicted the structural basis for pleiotropic signaling of the CC chemokine type 5
(CCR5) G protein-coupled receptor (GPCR) by predicting the binding of several ligands to …
(CCR5) G protein-coupled receptor (GPCR) by predicting the binding of several ligands to …