List of works - Marcel Bermudez

A panoramic view on GPCRs: the 1st Berlin Symposium for Interdisciplinary GPCR research

scientific article published on 21 May 2018

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

scientific article published on 19 October 2017

Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT<sub>2B</sub> Receptors

scientific article published on 20 December 2020

Binding characteristics of [3H]-JSM10292: a new cell membrane-permeant non-peptide bradykinin B2 receptor antagonist

scientific article published in October 2012

Chemoenzymatic Synthesis of Nonasulfated Tetrahyaluronan with a Paramagnetic Tag for Studying Its Complex with Interleukin-10.

scientific article published on 25 February 2016

Community guidelines for GPCR ligand bias: IUPHAR review 32

Computational close up on protein-protein interactions: how to unravel the invisible using molecular dynamics simulations?

article

Does Divergent Binding Pocket Closure Drive Ligand Bias for Class A GPCRs?

scientific article published on 06 March 2019

Dualsteric modulators of the M2 muscarinic acetylcholine receptor.

scientific article published on 11 March 2014

Dualsteric muscarinic antagonists--orthosteric binding pose controls allosteric subtype selectivity

scientific article published on 4 August 2014

Fluorination of Photoswitchable Muscarinic Agonists Tunes Receptor Pharmacology and Photochromic Properties

scientific article published on 19 March 2019

Identification and characterization of a novel chemotype for human TLR8 inhibitors

scientific article published on 29 June 2019

Identification of a pyrrogallol derivative as a potent and selective human TLR2 antagonist by structure-based virtual screening.

scientific article published on 20 April 2018

In silico virtual screening approaches for anti-viral drug discovery

scientific article

Interruption of the ionic lock in the bradykinin B2 receptor results in constitutive internalization and turns several antagonists into strong agonists

scientific article

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

scientific article published on 13 June 2016

Ligand-Specific Restriction of Extracellular Conformational Dynamics Constrains Signaling of the M2 Muscarinic Receptor.

scientific article published on 06 June 2017

Mechanistic Understanding of Peptide Analogues, DALDA, [Dmt1]DALDA, and KGOP01, Binding to the mu Opioid Receptor

scientific article published on 29 April 2020

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.

scientific article

NSC23766, a widely used inhibitor of Rac1 activation, additionally acts as a competitive antagonist at muscarinic acetylcholine receptors

scientific article published on 25 July 2013

Next generation 3D pharmacophore modeling

scientific article published on 26 February 2020

Novel BQCA- and TBPB-Derived M1 Receptor Hybrid Ligands: Orthosteric Carbachol Differentially Regulates Partial Agonism

scientific article published on 03 July 2019

Nuclear transport of the human aryl hydrocarbon receptor and subsequent gene induction relies on its residue histidine 291.

scientific article published on 21 November 2017

Strategies for the discovery of biased GPCR ligands

scientific article published on 01 March 2019

Structural Characteristics of the Allosteric Binding Site Represent a Key to Subtype Selective Modulators of Muscarinic Acetylcholine Receptors

scientific article published in July 2015

Structural determinants of diphenethylamines for interaction with the κ opioid receptor: Synthesis, pharmacology and molecular modeling studies

scientific article

Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands

scientific article published on 14 March 2015

Structure-based identification of dual ligands at the A<sub>2A</sub>R and PDE10A with anti-proliferative effects in lung cancer cell-lines

scientific article published on 03 March 2021

Systematic Data Mining Reveals Synergistic H3R/MCHR1 Ligands.

scientific article

The Role of Orthosteric Building Blocks of Bitopic Ligands for Muscarinic M1 Receptors

scientific article published on 01 December 2020

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes

scientific article

List of works by Marcel Bermudez

A panoramic view on GPCRs: the 1st Berlin Symposium for Interdisciplinary GPCR research

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

Biased Ligands Differentially Shape the Conformation of the Extracellular Loop Region in 5-HT<sub>2B</sub> Receptors

Binding characteristics of [3H]-JSM10292: a new cell membrane-permeant non-peptide bradykinin B2 receptor antagonist

Chemoenzymatic Synthesis of Nonasulfated Tetrahyaluronan with a Paramagnetic Tag for Studying Its Complex with Interleukin-10.

Community guidelines for GPCR ligand bias: IUPHAR review 32

Computational close up on protein-protein interactions: how to unravel the invisible using molecular dynamics simulations?

Does Divergent Binding Pocket Closure Drive Ligand Bias for Class A GPCRs?

Dualsteric modulators of the M2 muscarinic acetylcholine receptor.

Dualsteric muscarinic antagonists--orthosteric binding pose controls allosteric subtype selectivity

Fluorination of Photoswitchable Muscarinic Agonists Tunes Receptor Pharmacology and Photochromic Properties

Identification and characterization of a novel chemotype for human TLR8 inhibitors

Identification of a pyrrogallol derivative as a potent and selective human TLR2 antagonist by structure-based virtual screening.

In silico virtual screening approaches for anti-viral drug discovery

Interruption of the ionic lock in the bradykinin B2 receptor results in constitutive internalization and turns several antagonists into strong agonists

Ligand Binding Ensembles Determine Graded Agonist Efficacies at a G Protein-coupled Receptor

Ligand-Specific Restriction of Extracellular Conformational Dynamics Constrains Signaling of the M2 Muscarinic Receptor.

Mechanistic Understanding of Peptide Analogues, DALDA, [Dmt1]DALDA, and KGOP01, Binding to the mu Opioid Receptor

More than a look into a crystal ball: protein structure elucidation guided by molecular dynamics simulations.

NSC23766, a widely used inhibitor of Rac1 activation, additionally acts as a competitive antagonist at muscarinic acetylcholine receptors

Next generation 3D pharmacophore modeling

Novel BQCA- and TBPB-Derived M1 Receptor Hybrid Ligands: Orthosteric Carbachol Differentially Regulates Partial Agonism

Nuclear transport of the human aryl hydrocarbon receptor and subsequent gene induction relies on its residue histidine 291.

Strategies for the discovery of biased GPCR ligands

Structural Characteristics of the Allosteric Binding Site Represent a Key to Subtype Selective Modulators of Muscarinic Acetylcholine Receptors

Structural determinants of diphenethylamines for interaction with the κ opioid receptor: Synthesis, pharmacology and molecular modeling studies

Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands

Structure-based identification of dual ligands at the A<sub>2A</sub>R and PDE10A with anti-proliferative effects in lung cancer cell-lines

Systematic Data Mining Reveals Synergistic H3R/MCHR1 Ligands.

The Role of Orthosteric Building Blocks of Bitopic Ligands for Muscarinic M1 Receptors

The impact of molecular dynamics on drug design: applications for the characterization of ligand-macromolecule complexes