List of works - Hugo Verli

2´,3´-Dialdehyde of ATP, ADP, and adenosine inhibit HIV-1 reverse transcriptase and HIV-1 replication

scientific article published on January 2014

3-to-1: unraveling structural transitions in ureases

scientific article published on 26 April 2013

A cell surface arabinogalactan-peptide influences root hair cell fate

scientific article published on 16 February 2020

A specific interdomain interaction preserves the structural and binding properties of the ModA protein from the phytopathogen Xanthomonas citri domain interaction and transport in ModA.

scientific article published on 12 September 2013

A unique 2-sulfated {beta}-galactan from the egg jelly of the sea urchin Glyptocidaris crenularis: conformation flexibility versus induction of the sperm acrosome reaction

scientific article published on 29 April 2009

Accommodation of In-Register N-Linked Glycans on Prion Protein Amyloid Cores

scientific article published on 12 November 2020

Alkaloids from Hippeastrum morelianum Lem. (Amaryllidaceae)

scientific article published on 06 September 2011

All-Hydrocarbon Staples and Their Effect over Peptide Conformation under Different Force Fields

scientific article published on 04 September 2018

An Unprecedented Neolignan Skeleton fromChimarrhis turbinata

scientific article published on 25 March 2011

An Unusual Intramolecular Halogen Bond guides Conformational Selection.

scientific article

Anticoagulant activity of a unique sulfated pyranosic (1->3)-β-L-arabinan through direct interaction with thrombin

scientific article published on 16 November 2012

Antithrombin conformational modulation by D-myo-inositol 3,4,5,6-tetrakisphosphate (TMI), a novel scaffold for the development of antithrombotic agents.

scientific article published on 26 November 2017

Antithrombotic Effect of Chikusetsusaponin IVa Isolated from Ilex paraguariensis (Maté)

scientific article published in December 2012

Anxiolytic effects of erythrinian alkaloids from Erythrina mulungu.

scientific article

Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.

scientific article

Ascorbate peroxidase-related (APx-R) is a new heme-containing protein functionally associated with ascorbate peroxidase but evolutionarily divergent

scientific article published on 25 February 2011

Atomic model and micelle dynamics of QS-21 saponin

scientific article published on 24 March 2014

Characterization of JBURE-IIb isoform of Canavalia ensiformis (L.) DC urease

scientific article

Characterization of the conformational ensemble from bioactive N-acylhydrazone derivatives

scientific article published on 30 October 2009

Characterization of the papillomavirus alpha(1)E2 peptide unfolded to folded transition upon DNA binding

scientific article published in October 2008

Conformation of sulfated galactan and sulfated fucan in aqueous solutions: implications to their anticoagulant activities.

scientific article

Conformational characterization of ipomotaosides and their recognition by COX-1 and 2.

scientific article published on 24 April 2014

Current Status of Carbohydrates Information in the Protein Data Bank

scientific article published on 28 January 2020

Depiction of the forces participating in the 2-O-sulfo-alpha-L-iduronic acid conformational preference in heparin sequences in aqueous solutions

scientific article published on 22 April 2008

Design, synthesis and pharmacological assessment of new pyrazole compounds

scientific article published on 11 June 2020

Design, synthesis, and pharmacological profile of novel fused pyrazolo[4,3-d]pyridine and pyrazolo[3,4-b][1,8]naphthyridine isosteres: a new class of potent and selective acetylcholinesterase inhibitors

scientific article

Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids

scientific article published on 25 January 2019

Differential effect of solution conditions on the conformation of the actinoporins Sticholysin II and Equinatoxin II.

scientific article published on December 2014

Dynamics of DDB2-DDB1 complex under different naturally-occurring mutants in Xeroderma Pigmentosum disease

scientific article published on 06 August 2018

Dynamics of different arachidonic acid orientations bound to prostaglandin endoperoxide synthases

scientific article published on 16 August 2011

Dynamics on human Toll-like receptor 4 complexation to MD-2: the coreceptor stabilizing function

scientific article published on 01 February 2015

ESI-MS/MS of expanded porphyrins: a look into their structure and aromaticity

scientific article published in May 2016

Effects of glycosylation and pH conditions in the dynamics of human arylsulfatase A.

scientific article published on 13 April 2013

Effects of glycosylation on heparin binding and antithrombin activation by heparin

scientific article

Everyone Is a Protagonist: Residue Conformational Preferences in High-Resolution Protein Structures

scientific article published on 21 December 2017

Evidence-based docking of the urease activation complex

article

Extension and validation of the GROMOS 53A6(GLYC) parameter set for glycoproteins

scientific article published on 05 September 2014

GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates

scientific article published on 18 September 2012

GROMOS96 43a1 performance on the characterization of glycoprotein conformational ensembles through molecular dynamics simulations

scientific article

Glycosylation is crucial for a proper catalytic site organization in human glucocerebrosidase

scientific article published on 29 March 2016

Homology modeling and molecular dynamics provide structural insights into tospovirus nucleoprotein

scientific article

Improving the thrombin inhibitory activity of glycyrrhizin, a triterpenic saponin, through a molecular simplification of the carbohydrate moiety.

scientific article published on 25 October 2013

In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination

scientific article published on 28 July 2015

Induction of apoptosis in Ehrlich ascites tumour cells via p53 activation by a novel small-molecule MDM2 inhibitor - LQFM030.

scientific article published on 28 June 2016

Insights into the N-sulfation mechanism: molecular dynamics simulations of the N-sulfotransferase domain of NDST1 and mutants

scientific article

Insights into the induced fit mechanism in antithrombin-heparin interaction using molecular dynamics simulations

scientific article

Jatrophidin I, a cyclic peptide from Brazilian Jatropha curcas L.: Isolation, characterization, conformational studies and biological activity

article

Local intersection volume: a new 3D descriptor applied to develop a 3D-QSAR pharmacophore model for benzodiazepine receptor ligands

scientific article published in March 2002

Low Sugar Is Not Always Good: Impact of Specific O-Glycan Defects on Tip Growth in Arabidopsis ⬇️

scientific article

Low accumulation of L90M in protease from subtype F HIV-1 with resistance to protease inhibitors is caused by the L89M polymorphism

scientific article

Molecular docking and pharmacological/toxicological assessment of a new compound designed from celecoxib and paracetamol by molecular hybridization

scientific article published on 23 July 2018

Molecular dynamics analysis of HIV-1 matrix protein: clarifying differences between crystallographic and solution structures

scientific article published on 26 September 2006

Molecular dynamics and atomic charge calculations in the study of heparin conformation in aqueous solution.

scientific article

Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution

scientific article

Natural Plant Alkaloid (Emetine) Inhibits HIV-1 Replication by Interfering with Reverse Transcriptase Activity.

scientific article published on 22 June 2015

Neuropharmacological assessment in mice and molecular docking of piperazine derivative LQFM212

scientific article published on 28 July 2020

New optimized piperamide analogues with potent in vivo hypotensive properties

scientific article published in December 2004

Novel choline analog 2-(4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)ethan-1-ol produces sympathoinhibition, hypotension, and antihypertensive effects

scientific article published on 02 May 2019

O-glycosylated cell wall proteins are essential in root hair growth.

scientific article published in June 2011

On the catalytic mechanism of polysaccharide lyases: evidence of His and Tyr involvement in heparin lysis by heparinase I and the role of Ca2+

article

Pharmacokinetic evaluation of LASSBio-579: an N-phenylpiperazine antipsychotic prototype

scientific article published in June 2008

Pharmacological evaluation and molecular docking of new di-tert-butylphenol compound, LQFM-091, a new dual 5-LOX/COX inhibitor

scientific article published on 06 June 2017

Pharmacomodulation on the 3-acetylursolic acid skeleton: Design, synthesis, and biological evaluation of novel N-{3-[4-(3-aminopropyl)piperazinyl]propyl}-3-O-acetylursolamide derivatives as antimalarial agents.

scientific article published on 14 October 2007

Prediction, mapping and validation of tick glutathione S-transferase B-cell epitopes

scientific article published on 23 April 2020

Putative model for heat shock protein 70 complexation with receptor of advanced glycation end products through fluorescence proximity assays and normal mode analyses

scientific article published on 17 November 2016

Ribifolin, an Orbitide from Jatropha ribifolia, and Its Potential Antimalarial Activity

Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations

scientific article published on 19 November 2020

Solution conformation and dynamics of exopolysaccharides from Burkholderia species

scientific article published on 25 June 2010

Structural and functional behavior of biologically active monomeric melittin.

scientific article published on 14 August 2006

Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases

scientific article

Structural characterization of NETNES glycopeptide from Trypanosoma cruzi

scientific article published on 21 March 2013

Structural glycobiology of heparin dynamics on the exosite 2 of coagulation cascade proteases: Implications for glycosaminoglycans antithrombotic activity

scientific article published on 7 November 2013

Structural glycobiology of heparinase II from Pedobacter heparinus

scientific article published on 28 June 2013

Structural glycobiology of human α1-acid glycoprotein and its implications for pharmacokinetics and inflammation.

scientific article published on 18 June 2015

Structural glycobiology of the major allergen of Artemisia vulgaris pollen, Art v 1: O-glycosylation influence on the protein dynamics and allergenicity

scientific article published on 23 February 2012

Structural studies of the Enterococcus faecalis SufU [Fe-S] cluster protein

scientific article

Structure and behavior of human α-thrombin upon ligand recognition: thermodynamic and molecular dynamics studies

scientific article

Structure-function studies on jaburetox, a recombinant insecticidal peptide derived from jack bean (Canavalia ensiformis) urease.

scientific article published on 14 November 2013

The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen.

scientific article published on 2 July 2015

The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains

scientific article published on 10 December 2019

The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains

The role of Zn2+, dimerization and N-glycosylation in the interaction of Auxin-Binding Protein 1 (ABP1) with different auxins.

scientific article

Thermal-induced conformational changes in the product release area drive the enzymatic activity of xylanases 10B: Crystal structure, conformational stability and functional characterization of the xylanase 10B from Thermotoga petrophila RKU-1

scientific article

Turbinatine, a potential key intermediate in the biosynthesis of corynanthean-type indole alkaloids

scientific article published in July 2003

Unrestrained conformational characterization of Stenocereus eruca saponins in aqueous and nonaqueous solvents

scientific article published on 13 June 2012

Venomous mammals: a review

scientific article

[28]Hexaphyrin derivatives for anion recognition in organic and aqueous media.

scientific article published on 4 January 2016

List of works by Hugo Verli

2´,3´-Dialdehyde of ATP, ADP, and adenosine inhibit HIV-1 reverse transcriptase and HIV-1 replication

3-to-1: unraveling structural transitions in ureases

A cell surface arabinogalactan-peptide influences root hair cell fate

A specific interdomain interaction preserves the structural and binding properties of the ModA protein from the phytopathogen Xanthomonas citri domain interaction and transport in ModA.

A unique 2-sulfated {beta}-galactan from the egg jelly of the sea urchin Glyptocidaris crenularis: conformation flexibility versus induction of the sperm acrosome reaction

Accommodation of In-Register N-Linked Glycans on Prion Protein Amyloid Cores

Alkaloids from Hippeastrum morelianum Lem. (Amaryllidaceae)

All-Hydrocarbon Staples and Their Effect over Peptide Conformation under Different Force Fields

An Unprecedented Neolignan Skeleton fromChimarrhis turbinata

An Unusual Intramolecular Halogen Bond guides Conformational Selection.

Anticoagulant activity of a unique sulfated pyranosic (1->3)-β-L-arabinan through direct interaction with thrombin

Antithrombin conformational modulation by D-myo-inositol 3,4,5,6-tetrakisphosphate (TMI), a novel scaffold for the development of antithrombotic agents.

Antithrombotic Effect of Chikusetsusaponin IVa Isolated from Ilex paraguariensis (Maté)

Anxiolytic effects of erythrinian alkaloids from Erythrina mulungu.

Aromatic Rings Commonly Used in Medicinal Chemistry: Force Fields Comparison and Interactions With Water Toward the Design of New Chemical Entities.

Ascorbate peroxidase-related (APx-R) is a new heme-containing protein functionally associated with ascorbate peroxidase but evolutionarily divergent

Atomic model and micelle dynamics of QS-21 saponin

Characterization of JBURE-IIb isoform of Canavalia ensiformis (L.) DC urease

Characterization of the conformational ensemble from bioactive N-acylhydrazone derivatives

Characterization of the papillomavirus alpha(1)E2 peptide unfolded to folded transition upon DNA binding

Conformation of sulfated galactan and sulfated fucan in aqueous solutions: implications to their anticoagulant activities.

Conformational characterization of ipomotaosides and their recognition by COX-1 and 2.

Current Status of Carbohydrates Information in the Protein Data Bank

Depiction of the forces participating in the 2-O-sulfo-alpha-L-iduronic acid conformational preference in heparin sequences in aqueous solutions

Design, synthesis and pharmacological assessment of new pyrazole compounds

Design, synthesis, and pharmacological profile of novel fused pyrazolo[4,3-d]pyridine and pyrazolo[3,4-b][1,8]naphthyridine isosteres: a new class of potent and selective acetylcholinesterase inhibitors

Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids

Differential effect of solution conditions on the conformation of the actinoporins Sticholysin II and Equinatoxin II.

Dynamics of DDB2-DDB1 complex under different naturally-occurring mutants in Xeroderma Pigmentosum disease

Dynamics of different arachidonic acid orientations bound to prostaglandin endoperoxide synthases

Dynamics on human Toll-like receptor 4 complexation to MD-2: the coreceptor stabilizing function

ESI-MS/MS of expanded porphyrins: a look into their structure and aromaticity

Effects of glycosylation and pH conditions in the dynamics of human arylsulfatase A.

Effects of glycosylation on heparin binding and antithrombin activation by heparin

Everyone Is a Protagonist: Residue Conformational Preferences in High-Resolution Protein Structures

Evidence-based docking of the urease activation complex

Extension and validation of the GROMOS 53A6(GLYC) parameter set for glycoproteins

GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates

GROMOS96 43a1 performance on the characterization of glycoprotein conformational ensembles through molecular dynamics simulations

Glycosylation is crucial for a proper catalytic site organization in human glucocerebrosidase

Homology modeling and molecular dynamics provide structural insights into tospovirus nucleoprotein

Improving the thrombin inhibitory activity of glycyrrhizin, a triterpenic saponin, through a molecular simplification of the carbohydrate moiety.

In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination

Induction of apoptosis in Ehrlich ascites tumour cells via p53 activation by a novel small-molecule MDM2 inhibitor - LQFM030.

Insights into the N-sulfation mechanism: molecular dynamics simulations of the N-sulfotransferase domain of NDST1 and mutants

Insights into the induced fit mechanism in antithrombin-heparin interaction using molecular dynamics simulations

Jatrophidin I, a cyclic peptide from Brazilian Jatropha curcas L.: Isolation, characterization, conformational studies and biological activity

Local intersection volume: a new 3D descriptor applied to develop a 3D-QSAR pharmacophore model for benzodiazepine receptor ligands

Low Sugar Is Not Always Good: Impact of Specific O-Glycan Defects on Tip Growth in Arabidopsis ⬇️

Low accumulation of L90M in protease from subtype F HIV-1 with resistance to protease inhibitors is caused by the L89M polymorphism

Molecular docking and pharmacological/toxicological assessment of a new compound designed from celecoxib and paracetamol by molecular hybridization

Molecular dynamics analysis of HIV-1 matrix protein: clarifying differences between crystallographic and solution structures

Molecular dynamics and atomic charge calculations in the study of heparin conformation in aqueous solution.

Molecular dynamics simulation of a decasaccharide fragment of heparin in aqueous solution

Natural Plant Alkaloid (Emetine) Inhibits HIV-1 Replication by Interfering with Reverse Transcriptase Activity.

Neuropharmacological assessment in mice and molecular docking of piperazine derivative LQFM212

New optimized piperamide analogues with potent in vivo hypotensive properties

Novel choline analog 2-(4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazin-1-yl)ethan-1-ol produces sympathoinhibition, hypotension, and antihypertensive effects

O-glycosylated cell wall proteins are essential in root hair growth.

On the catalytic mechanism of polysaccharide lyases: evidence of His and Tyr involvement in heparin lysis by heparinase I and the role of Ca2+

Pharmacokinetic evaluation of LASSBio-579: an N-phenylpiperazine antipsychotic prototype

Pharmacological evaluation and molecular docking of new di-tert-butylphenol compound, LQFM-091, a new dual 5-LOX/COX inhibitor

Pharmacomodulation on the 3-acetylursolic acid skeleton: Design, synthesis, and biological evaluation of novel N-{3-[4-(3-aminopropyl)piperazinyl]propyl}-3-O-acetylursolamide derivatives as antimalarial agents.

Prediction, mapping and validation of tick glutathione S-transferase B-cell epitopes

Putative model for heat shock protein 70 complexation with receptor of advanced glycation end products through fluorescence proximity assays and normal mode analyses

Ribifolin, an Orbitide from Jatropha ribifolia, and Its Potential Antimalarial Activity

Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations

Solution conformation and dynamics of exopolysaccharides from Burkholderia species

Structural and functional behavior of biologically active monomeric melittin.

Structural and thermodynamic analysis of thrombin:suramin interaction in solution and crystal phases

Structural characterization of NETNES glycopeptide from Trypanosoma cruzi

Structural glycobiology of heparin dynamics on the exosite 2 of coagulation cascade proteases: Implications for glycosaminoglycans antithrombotic activity

Structural glycobiology of heparinase II from Pedobacter heparinus

Structural glycobiology of human α1-acid glycoprotein and its implications for pharmacokinetics and inflammation.

Structural glycobiology of the major allergen of Artemisia vulgaris pollen, Art v 1: O-glycosylation influence on the protein dynamics and allergenicity

Structural studies of the Enterococcus faecalis SufU [Fe-S] cluster protein

Structure and behavior of human α-thrombin upon ligand recognition: thermodynamic and molecular dynamics studies

Structure-function studies on jaburetox, a recombinant insecticidal peptide derived from jack bean (Canavalia ensiformis) urease.

The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen.