SPYRAKIS, Francesca
 Distribuzione geografica
Continente #
NA - Nord America 3.429
EU - Europa 2.450
AS - Asia 1.156
SA - Sud America 59
AF - Africa 48
OC - Oceania 31
Continente sconosciuto - Info sul continente non disponibili 2
Totale 7.175
Nazione #
US - Stati Uniti d'America 3.360
IT - Italia 945
CN - Cina 502
IE - Irlanda 449
FR - Francia 231
SE - Svezia 218
DE - Germania 116
IN - India 115
UA - Ucraina 90
VN - Vietnam 84
GB - Regno Unito 80
HK - Hong Kong 70
JP - Giappone 63
SG - Singapore 63
CA - Canada 55
PL - Polonia 50
KR - Corea 49
FI - Finlandia 45
MY - Malesia 43
TR - Turchia 43
AT - Austria 38
AU - Australia 31
BR - Brasile 30
IR - Iran 26
PK - Pakistan 26
CH - Svizzera 21
ES - Italia 21
NL - Olanda 19
BE - Belgio 18
RO - Romania 18
TW - Taiwan 18
DK - Danimarca 17
MA - Marocco 17
MX - Messico 14
NO - Norvegia 14
RU - Federazione Russa 12
PT - Portogallo 11
RS - Serbia 11
TH - Thailandia 11
CL - Cile 10
ID - Indonesia 10
NG - Nigeria 9
CO - Colombia 7
AR - Argentina 6
IL - Israele 6
SK - Slovacchia (Repubblica Slovacca) 6
TZ - Tanzania 6
ZA - Sudafrica 6
EG - Egitto 5
GR - Grecia 5
PH - Filippine 5
EC - Ecuador 4
KW - Kuwait 4
SI - Slovenia 4
DZ - Algeria 3
SA - Arabia Saudita 3
AE - Emirati Arabi Uniti 2
AF - Afghanistan, Repubblica islamica di 2
BA - Bosnia-Erzegovina 2
BO - Bolivia 2
CZ - Repubblica Ceca 2
EE - Estonia 2
EU - Europa 2
HU - Ungheria 2
IQ - Iraq 2
QA - Qatar 2
YE - Yemen 2
AM - Armenia 1
BG - Bulgaria 1
BY - Bielorussia 1
CM - Camerun 1
LB - Libano 1
LU - Lussemburgo 1
MO - Macao, regione amministrativa speciale della Cina 1
NP - Nepal 1
SC - Seychelles 1
UZ - Uzbekistan 1
Totale 7.175
Città #
Chandler 476
Dublin 446
Beijing 243
Fairfield 234
Torino 198
Houston 169
Villeurbanne 158
Ashburn 155
Turin 145
Nyköping 142
Woodbridge 118
Los Angeles 116
Wilmington 112
Princeton 100
Seattle 95
Cambridge 80
Medford 77
Ann Arbor 75
Pisa 69
Redwood City 66
Boston 59
Dong Ket 50
Jacksonville 49
Boardman 44
Singapore 44
Dearborn 41
Warsaw 38
Subang Jaya 37
Zola Predosa 36
Vienna 35
Hangzhou 33
San Diego 31
Hong Kong 28
Norwalk 26
Milan 25
Shanghai 23
Nanjing 22
Washington 21
Helsinki 20
Ottawa 20
Istanbul 19
Rome 18
Parma 17
Guangzhou 16
Brisbane 15
Central 15
Gongju 15
Lappeenranta 15
Seoul 15
Toronto 15
New York 13
San Mauro Torinese 13
Bengaluru 12
Buffalo 12
Chennai 12
Hefei 12
Kunming 12
Modena 12
New Delhi 12
Tokyo 12
Karachi 11
London 11
Perugia 11
Braunschweig 10
Brussels 10
Paris 10
Wuhan 10
Bari 9
Birmingham 9
Casteggio 9
Hebei 9
Pune 9
Rivoli 9
Alessandria 8
Belgrade 8
Boffalora sopra Ticino 8
Bangkok 7
Barcelona 7
Changsha 7
Chengdu 7
Copenhagen 7
Kahramanmaraş 7
Santiago 7
Shenyang 7
Shiraz 7
Taipei 7
Tromsø 7
Tübingen 7
Vercelli 7
Zurich 7
Abuja 6
Avigliana 6
Balotesti 6
Bethesda 6
Bradford 6
Chandigarh 6
Fes 6
Fremont 6
Leeds 6
Leinì 6
Totale 4.547
Nome #
Human dopamine transporter: the first implementation of a combined in silico/in vitro approach revealing the substrate and inhibitor specificities 362
Comparing Drug Images and Repurposing Drugs with BioGPS and FLAPdock: The Thymidylate Synthase Case 264
Essential oils bearing specialized metabolites with potential hypoglycemic activity: a bio-guided fractionation approach driven by in vitro (porcine, human and fungal) α-amylase inhibition assays 244
In the search for new NLRP3 inhibitors: chemical modulation of the 1-(piperidin-4-yl)-1,3-dihydro-2 Hbenzo[d]imidazole-2-one scaffold 234
The Roles of Water in the Protein Matrix: A Largely Untapped Resource for Drug Discovery 171
Multiple catalytic activities of human 17β-hydroxysteroid dehydrogenase type 7 respond differently to inhibitors. 163
Recent advances in the synthesis of analogues of phytohormones strigolactones with ring-closing metathesis as a key step 151
A Pipeline to Enhance Ligand Virtual Screening: Integrating Molecular Dynamics and Fingerprints for Ligand and Proteins 143
Structure Activity Relationship of strigolactones via a novel, quantitative in planta bioassay 141
Long period fiber grating working in reflection mode as valuable biosensing platform for the detection of drug resistant bacteria 135
Strigolactones as antiviral drugs to inhibit Herpesvirus replication 128
Strigolactone analogs are promising antiviral agents against Herpesviruses 121
CO Rebinding Kinetics and Molecular Dynamics Simulations Highlight Dynamic Regulation of Internal Cavities in Human Cytoglobin 118
Fluorescent Nitric Oxide Photodonors Based on BODIPY and Rhodamine Antennae 118
Targeting cystalysin, a virulence factor of Treponema denticola-supported periodontitis 115
New aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the hydroxytriazole scaffold 115
Ligand migration through hemeprotein cavities: Insights from laser flash photolysis and molecular dynamics simulations 110
New inhibitors of Aldo-Keto Reductase 1C3 (AKR1C3) based on benzoisoxazole scaffold and their potential application in cancer 109
4-amino-1,2,4-triazole-3-thione as a promising scaffold for the inhibition of serine and metallo-β-lactamases 108
Virtual screening identifies broad-spectrum β-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases 107
A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor 106
Evaluation of Porcine and Aspergillus oryzae α-Amylases as Possible Model for the Human Enzyme 106
Tuning the Hydrophobicity of a Mitochondria-Targeted NO Photodonor 95
Chemical modulation of the 1-(Piperidin-4-yl)-1,3-dihydro-2h-benzo[d]imidazole-2-one scaffold as a novel NLRP3 inhibitor 89
Paracetamol-Galactose Conjugate: A Novel Prodrug for an Old Analgesic Drug 89
DNA-targeted NO release photoregulated by green light 89
Computational and biological profile of boronic acids for the detection of bacterial serine- and metallo-beta-lactamases 87
Iron metabolism at the interface between host and pathogen: From nutritional immunity to antibacterial development 86
Strigolactone Analogs Are Promising Antiviral Agents for the Treatment of Human Cytomegalovirus Infection. 83
Interaction of human hemoglobin and semi-hemoglobins with the Staphylococcus aureus hemophore IsdB: a kinetic and mechanistic insight 81
Pyridoxal 5-phosphate-dependent enzymes: Catalysis, conformation, and genomics 80
New Hydroxybenzoazole Inhibitors of Aldo-Keto Reductase 1C3 (AKR1C3): Disclosure of SAR Investigation to Target Prostate Cancer 77
Comparative analysis of inner cavities and ligand migration in non-symbiotic AHb1 and AHb2 72
Decoding the Structural Basis For Carbapenem Hydrolysis By Class A β-lactamases: Fishing For A Pharmacophore 71
Bound water at protein-protein interfaces: Partners, roles and hydrophobic bubbles as a conserved motif 68
Strigolactones as broad-spectrum antivirals against β-coronaviruses through targeting the main protease Mpro 66
Chemogenomics of pyridoxal 5′-phosphate dependent enzymes 63
Can we exploit β-lactamases intrinsic dynamics for designing more effective inhibitors? 63
Isozyme-Specific Ligands for O-acetylserine sulfhydrylase, a Novel Antibiotic Target 59
From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions 57
Structural insight into the interaction of O-acetylserine sulfhydrylase with competitive, peptidic inhibitors by saturation transfer difference-NMR 55
Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description 53
Comparative mapping of on-targets and off-targets for the discovery of anti-trypanosomatid folate pathway inhibitors 53
Complexity in modeling and understanding protonation states: Computational titration of HIV-1-protease-inhibitor complexes 53
A Blueprint for High Affinity SARS-CoV-2 Mpro Inhibitors from Activity-Based Compound Library Screening Guided by Analysis of Protein Dynamics 53
BioGPS: The music for the chemo- and bioinformatics walzer 51
Strigolactone analogs are promising antiviral agents for the treatment of human cytomegalovirus infection 51
Correct protonation states and relevant waters = better computational simulations? 50
Computational titration analysis of a multiprotic HIV-1 protease-ligand complex 50
Multiple-targeting ligands for AKR1C3 enzyme and androgen receptor to target prostate cancer 50
The consequences of scoring docked ligand conformations using free energy correlations 48
Strigolactones as broad-spectrum antivirals against ß-coronaviruses through targeting the main protease Mpro 47
Allosteric communication between alpha and beta subunits of tryptophan synthase: Modelling the open-closed transition of the alpha subunit 47
Ten Years with New Delhi Metallo-β-lactamase-1 (NDM-1): From Structural Insights to Inhibitor Design 47
Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase 46
Label-free fiber optic optrode for the detection of class C beta-lactamases expressed by drug resistant bacteria 46
Strigolactones as broad-spectrum antivirals against β-coronaviruses through targeting SARS-CoV-2 Mpro 45
First virtual screening and experimental validation of inhibitors targeting GES-5 carbapenemase 45
Strigolactone Analogs Are Promising Antiviral Agents for the Treatment of Human Cytomegalovirus Infection 45
FADB: A food additive molecular database for in silico screening in food toxicology 44
Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow 44
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase 42
Different roles of protein dynamics and ligand migration in non-symbiotic hemoglobins AHb1 and AHb2 from Arabidopsis thaliana 41
Binding of androgen-and estrogen-like flavonoids to their cognate (Non)nuclear receptors: A comparison by computational prediction 41
Indomethacin Inhibits Proliferation In Cells Harbouring PIK3CA Mutations 40
A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth 40
BROAD SPECTRUM METALLO beta-LACTAMASES INHIBITORS: NEW TOOLS AGAINST CLINICALLY-RELEVANT CARBAPENEMASES 39
Structure-based virtual screening for the discovery of novel inhibitors of New Delhi Metallo-beta-lactamase-1 39
Rational design of a user-friendly aptamer/peptide-based device for the detection of staphylococcus aureus 38
Novel peptide-conjugated nanomedicines for brain targeting: In vivo evidence 38
Theoretical calculations of the catalytic triad in short-chain alcohol dehydrogenases/reductases 37
Discovery of a novel 1,3,4-oxadiazol-2-one-based NLRP3 inhibitor as a pharmacological agent to mitigate cardiac and metabolic complications in an experimental model of diet-induced metaflammation 36
Oxygen and nitric oxide rebinding kinetics in nonsymbiotic hemoglobin AHb1 from Arabidopsis thaliana 36
Design of O-acetylserine sulfhydrylase inhibitors by mimicking nature 35
The inhibition of extended spectrum β-lactamases: Hits and leads 35
A generator of peroxynitrite activatable with red light 35
How computational methods try to disclose the estrogen receptor secrecy - Modeling the flexibility 35
Application of an in house bioisosteric approach to the design of innovative inhibitors of aldo-keto reductase 1C3 (AKR1C3) 33
Investigation into the Use of Encorafenib to Develop Potential PROTACs Directed against BRAFV600E Protein 33
Energy-based prediction of amino acid-nucleotide base recognition 33
A novel Bim-BH3-derived Bcl-XL inhibitor: Biochemical characterization, in vitro, in vivo and ex-vivo anti-leukemic activity 33
Energetics of the protein-DNA-water interaction 31
Exploring Ligand Binding Domain Dynamics in the NRs Superfamily 30
Editorial: Thematic issue: From extended spectrum β-lactamases to carbapenemase: The never ending challenge against gram-negative bacteria 30
Strigolactones, from Plants to Human Health: Achievements and Challenges 30
A structural homologue of the plant receptor D14 mediates responses to strigolactones in the fungal phytopathogen Cryphonectria parasitica 30
Lack of interaction of the fluorosurfactant C6O4 with human renal transporters: In vitro/in silico analysis 29
HYDROXYLATED HETEROCYCLES AS BIOISOSTERES OF THE CARBOXYLIC FUNCTION: DESIGN OF NEW AKR1C3 INHIBITORS ACTIVE IN PROSTATE CANCER 28
Serine racemase: A key player in neuron activity and in neuropathologies 27
Editorial [Hot topic: Applying Induced Fit in Drug Discovery: Square Pegs and Round Holes? (Guest Editors: Francesca Spyrakis, Pietro Cozzini, Aurijit Sarkar and Glen E. Kellogg)] 27
Ligand migration and hexacoordination in type 1 non-symbiotic rice hemoglobin 27
Structural plasticity and functional implications of internal cavities in distal mutants of type 1 non-symbiotic hemoglobin AHb1 from Arabidopsis thaliana 27
Cryo-EM structures of staphylococcal IsdB bound to human hemoglobin reveal the process of heme extraction 26
Robust classification of "relevant" water molecules in putative protein binding sites 25
NO release regulated by doxorubicin as the green light-harvesting antenna 25
N-[1,3-Dialkyl(aryl)-2-oxoimidazolidin-4-ylidene]-aryl(alkyl)sulphonamides as Novel Selective Human Cannabinoid Type 2 Receptor (hCB2R) Ligands; Insights into the Mechanism of Receptor Activation/Deactivation 24
Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 3. The free energy contribution of structural water molecules in HIV-1 protease complexes 24
Target flexibility: An emerging consideration in drug discovery and design 24
The reactivity with CO of AHb1 and AHb2 from Arabidopsis thaliana is controlled by the distal HisE7 and internal hydrophobic cavities 24
Getting it right: Modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets 24
Totale 7.018
Categoria #
all - tutte 25.187
article - articoli 0
book - libri 0
conference - conferenze 4.395
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 29.582


Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2018/201944 0 0 0 0 0 0 0 0 0 0 0 44
2019/2020793 44 25 23 127 40 85 106 81 79 81 57 45
2020/2021893 50 55 62 36 87 79 127 48 102 68 51 128
2021/20221.053 44 56 72 61 59 35 60 54 40 77 272 223
2022/20231.993 134 155 58 192 168 501 179 132 202 66 95 111
2023/20241.511 136 162 125 106 121 135 200 146 29 130 146 75
Totale 7.582