| Nome |
# |
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Theoretical Determination of the pK a Values of Betalamic Acid Related to the Free Radical Scavenger Capacity: Comparison Between Empirical and Quantum Chemical Methods, file e3ad8918-0654-da0e-e053-3705fe0a2b96
|
521
|
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Molecular Dynamics studies on Mdm2 complexes: an analysis of the inhibitor
influence, file e3ad8916-169c-da0e-e053-3705fe0a2b96
|
345
|
|
Targeting SARS-CoV-2 Main Protease for Treatment of COVID-19: Covalent Inhibitors Structure-Activity Relationship Insights and Evolution Perspectives, file 816d2317-c877-4af5-a097-4a2497adbf66
|
325
|
|
In vitro and in silico studies of polycondensed diazine systems as
anti-parasitic agents, file e3ad8916-1041-da0e-e053-3705fe0a2b96
|
284
|
|
Design, synthesis, and biological evaluation of a new class of benzo[b]furan derivatives as antiproliferative agents, with in silico predicted antitubulin activity, file e3ad891b-a2ad-da0e-e053-3705fe0a2b96
|
271
|
|
Receptor-guided 3D-QSAR approach for the discovery
of c-kit tyrosine kinase inhibitors, file e3ad8916-169e-da0e-e053-3705fe0a2b96
|
223
|
|
A multivariate analysis on non-nucleoside HIV-1 reverse transcriptase inhibitors and resistance induced by mutation, file e3ad8917-11aa-da0e-e053-3705fe0a2b96
|
216
|
|
Docking of indolo- and pyrrolo-pyrimidines to DNA. New DNA-interactive polycycles from amino-indoles/pyrroles and BMMA., file e3ad891e-8b4a-da0e-e053-3705fe0a2b96
|
169
|
|
Study of the role of “gatekeeper” mutations V654A
and T670I of c-kit kinase in the interaction with
inhibitors by means mixed molecular
dynamics/docking approach, file e3ad8916-16a2-da0e-e053-3705fe0a2b96
|
144
|
|
NiII, and ZnII Schiff Base Complexes: Telomeric G-quadruplex Stabilizers, file e3ad8916-e3af-da0e-e053-3705fe0a2b96
|
141
|
|
A human CCT5 gene mutation causing distal neuropathy impairs hexadecamer assembly in an archaeal model, file e3ad8916-fc13-da0e-e053-3705fe0a2b96
|
137
|
|
Pharmacophore modelling as useful tool in the lead compounds identification
and optimization, file e3ad8916-16a4-da0e-e053-3705fe0a2b96
|
133
|
|
Identification of an LPS-induced chemo-attractive peptide from ciona robusta, file e3ad8922-4739-da0e-e053-3705fe0a2b96
|
116
|
|
DA-Phen, a new dopamine aminoacid conjugate: in vivo testing and molecular modeling as dopaminergic modulator, file e3ad8916-dceb-da0e-e053-3705fe0a2b96
|
107
|
|
Vaccinium macrocarpon (Cranberry)-Based Dietary Supplements: Variation in Mass Uniformity, Proanthocyanidin Dosage and Anthocyanin Profile Demonstrates Quality Control Standard Needed, file e3ad8921-a48a-da0e-e053-3705fe0a2b96
|
106
|
|
Antiproliferative properties and g-quadruplex-binding of symmetrical naphtho[1,2-b:8,7-b’]dithiophene derivatives, file e3ad8927-9f2c-da0e-e053-3705fe0a2b96
|
68
|
|
Curcumin-like compounds designed to modify amyloid beta peptide aggregation patterns, file e3ad8923-984e-da0e-e053-3705fe0a2b96
|
62
|
|
Studio del ruolo delle mutazioni “gatekeeper” V654A e T670I di c-kit kinase nell’interazione con inibitori attraverso un approccio misto Dinamica Molecolare/Docking, file e3ad8916-16a6-da0e-e053-3705fe0a2b96
|
61
|
|
Synthesis, biological evaluation, and: In silico studies of novel chalcone: In pyrazoline-based 1,3,5-triazines as potential anticancer agents, file e3ad8926-2c87-da0e-e053-3705fe0a2b96
|
61
|
|
Off-target-based design of selective hiv-1 protease inhibitors, file e3ad8926-d87f-da0e-e053-3705fe0a2b96
|
61
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|
Quinoline-based molecules targeting c-Met, EGF, and VEGF receptors and the proteins involved in related carcinogenic pathways, file e3ad8926-cf14-da0e-e053-3705fe0a2b96
|
59
|
|
The dimer-monomer equilibrium of SARS-CoV-2 main protease is affected by small molecule inhibitors, file e3ad8926-e822-da0e-e053-3705fe0a2b96
|
57
|
|
Bioactive triterpenes of protium heptaphyllum gum resin extract display cholesterol-lowering potential, file e3ad8926-2064-da0e-e053-3705fe0a2b96
|
56
|
|
SYNTHESIS AND EVALUATION OF CURCUMIN ANALOGUES AS NEURO-PROTECTIVE AGENTS FOR THE ALZHEIMER'S DISEASE, file e3ad8916-e69b-da0e-e053-3705fe0a2b96
|
54
|
|
In Silico Insights into the SARS CoV-2 Main Protease Suggest NADH Endogenous Defences in the Control of the Pandemic Coronavirus Infection, file e3ad8925-f9aa-da0e-e053-3705fe0a2b96
|
54
|
|
Synthesis, characterization and DNA binding studies of potential G4 stabilizer metal complexes, file e3ad8916-1e65-da0e-e053-3705fe0a2b96
|
48
|
|
Phytochemical Profile and Antioxidant, Antiproliferative, and Antimicrobial Properties of Rubus idaeus Seed Powder, file 7415cdd8-6aab-4199-b0d2-4fb0bb567c47
|
46
|
|
NOVEL ANTAGONISTS FOR AN Hsp60-BASED ANTICANCER
CHAPERONOTHERAPY, file e3ad8916-1e1a-da0e-e053-3705fe0a2b96
|
39
|
|
IN THE SEARCH OF LEPTIN AGONISTS AS ANTI-OBESITY DRUGS:
PROTEIN/PROTEIN DOCKING, MOLECULAR DYNAMICS, AND
VIRTUAL SCREENING, file e3ad8916-8afb-da0e-e053-3705fe0a2b96
|
39
|
|
Synthesis and Antiproliferative Activity of [1,2,4]triazino[4,3-a]indoles, file e3ad891e-64ff-da0e-e053-3705fe0a2b96
|
35
|
|
SELECTIVE G-QUADRUPLEX STABILIZERS: SALPHEN-LIKE COMPLEXES WITH ANTIPROLIFERATIVE ACTIVITY, file e3ad8916-e77e-da0e-e053-3705fe0a2b96
|
33
|
|
Molecular Modelling on Leptin and the Ob Receptor as anti-obesity target, file e3ad8916-1f14-da0e-e053-3705fe0a2b96
|
31
|
|
Inside c-kit tyrosine kinase: molecular modeling and
QSAR in the search of new inhibitors, file e3ad8915-caf5-da0e-e053-3705fe0a2b96
|
30
|
|
The Interaction of Small Molecules with Biomolecules, file e3ad8916-e3ab-da0e-e053-3705fe0a2b96
|
28
|
|
Theoretical Determination Of The pKas Of Betalamic Acid Related To The Free-Radical Scavenger Capacity: Comparison Between Semi-Empirical And Ab Initio Methods, file e3ad8916-cf25-da0e-e053-3705fe0a2b96
|
25
|
|
Nuovi inibitori di Aurora chinasi A come target biologico coinvolto nei processi carcinogenici, file e3ad8916-1e18-da0e-e053-3705fe0a2b96
|
23
|
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Antiproliferative Activity Predictor: A New Reliable In Silico Tool for Drug Response Prediction against NCI60 Panel, file 3104ce06-f7f5-4822-9170-353c5b25c680
|
22
|
|
STUDIO DELL'INTERAZIONE DI DNA-NATIVO CON Zn(3-ACETIL-1-(2-NITROFENIL)PENTAN-1,4-DIONATO)2, file e3ad8916-7c5b-da0e-e053-3705fe0a2b96
|
22
|
|
Melatonin Inhibits Inflammatory Response of Intestinal Epithelial Cells, file e3ad891d-9b18-da0e-e053-3705fe0a2b96
|
20
|
|
Design and synthesis of high affinity compounds for the Hsp60 expression
control in carcinogenic processes, file e3ad8916-e1ab-da0e-e053-3705fe0a2b96
|
17
|
|
DRUDIT: Web-based DRUgs DIscovery Tools to design small molecules as modulators of biological targets, file e3ad8921-9991-da0e-e053-3705fe0a2b96
|
17
|
|
In silico lead optimization and synthesis of a new series of thieno[3,2-c]quinoline with antiproliferative activity on RET-dependent medullary thyroid cancer cells, file ce4b0dc4-a9b5-4e59-91eb-5ca05bfd2a10
|
16
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|
Design and Synthesis of Novel Thieno[3,2-c]quinoline Compounds with Antiproliferative Activity on RET-Dependent Medullary Thyroid Cancer Cells, file d518a986-9be3-471b-a2d3-3d430a64cfa0
|
16
|
|
Indicaxanthin Induces Autophagy in Intestinal Epithelial Cancer Cells by Epigenetic Mechanisms Involving DNA Methylation, file d9072dbe-f957-4df7-bfe1-f9c656293c8c
|
16
|
|
In Silico Design of New Dual Inhibitors of SARS-CoV-2 MPRO through Ligand- and Structure-Based Methods, file e0c250fb-256d-407a-a2e8-6ec006396285
|
15
|
|
TECNICHE DI MODELLISTICA MOLECOLARE NELLA PROGETTAZIONE DI INIBITORI DELL'ATTIVITÀ TRASCRIZIONALE DI HIF-1, file e3ad8915-e9ec-da0e-e053-3705fe0a2b96
|
15
|
|
One pot-like regiospecific access to 1-aryl-1H-pyrazol-3(2H)-one derivatives and evaluation of the anticancer activity, file 974cb5da-f561-4ef8-9c68-08a0bbd28320
|
14
|
|
Quinoline anticancer agents active on DNA and DNA-interacting proteins: From classical to emerging therapeutic targets, file e3ad8926-e823-da0e-e053-3705fe0a2b96
|
13
|
|
In Silico Mixed Ligand/Structure-Based Design of New CDK-1/PARP-1 Dual Inhibitors as Anti-Breast Cancer Agents, file 5e1ceae8-d50b-46a6-a8e2-c26ff19e55f3
|
12
|
|
METHYLOMIC SIGNATURE AND MOLECULAR MODELLING TO BETTER UNDERSTAND AUTOPHAGY INDUCED BY PHYTOCHEMICAL IN CACO-2
CELLS, file e3ad8927-be16-da0e-e053-3705fe0a2b96
|
11
|
|
Drugs Polypharmacology by In Silico Methods: New Opportunities in Drug Discovery, file e3ad891a-1d1e-da0e-e053-3705fe0a2b96
|
10
|
|
Heterocyclic Scaffolds for the Treatment of Alzheimer's Disease, file e3ad891a-2420-da0e-e053-3705fe0a2b96
|
10
|
|
G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes, file e3ad891a-8c4a-da0e-e053-3705fe0a2b96
|
10
|
|
DRUDIT: Web-based DRUgs DIscovery Tools to design small molecules as modulators of biological targets, file e3ad8921-48ce-da0e-e053-3705fe0a2b96
|
10
|
|
Design of antitumor drugs targeting c-kit receptor by a new mixed ligand-structure based method, file e3ad8925-f579-da0e-e053-3705fe0a2b96
|
10
|
|
Protective effects of melatonin in inflamed intestinal epithelium are associated with reduced NF-κB activation and changes in DNA methylation status, file e3ad8927-a98e-da0e-e053-3705fe0a2b96
|
9
|
|
Antiproliferative Activity Predictor: un nuovo tool in silico per predire l’attività antiproliferativa nei confronti del pannello NCI60, file 5c4283d6-7e14-4d60-9607-a1d3e67ddcd7
|
8
|
|
In silico identification of small molecules as new cdc25 inhibitors through the correlation between chemosensitivity and protein expression pattern, file 40b3b159-51db-41dc-af73-8c0ca6ca12ba
|
7
|
|
Synthesis of new antiproliferative 1,3,4-substituted-pyrrolo[3,2-c]quinoline derivatives, biological and in silico insights, file 4e7163bb-ffb5-41ba-837e-c8d7d04d159b
|
7
|
|
Molecular dynamics, dynamic site mapping, and highthroughput virtual screening on leptin and the Ob receptor as anti-obesity target, file e3ad8916-cbeb-da0e-e053-3705fe0a2b96
|
6
|
|
METHYLOMIC SIGNATURE AND MOLECULAR MODELLING TO BETTER UNDERSTAND AUTOPHAGY INDUCED BY PHYTOCHEMICAL IN CACO-2
CELLS, file e3ad8927-d50a-da0e-e053-3705fe0a2b96
|
6
|
|
Synthesis, antiproliferative activity, and in silico insights of new 3-benzoylamino-benzo[ b ]thiophene derivatives, file e3ad8918-c7ac-da0e-e053-3705fe0a2b96
|
5
|
|
A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation, file e3ad891d-cf6d-da0e-e053-3705fe0a2b96
|
5
|
|
Verso l’ottimizzazione dell’attività antiproliferativa di derivati pirroloisochinolinici, file e3ad891e-d5e7-da0e-e053-3705fe0a2b96
|
5
|
|
Bioactive triterpenes of protium heptaphyllum gum resin extract display cholesterol-lowering potential, file e760f6df-0a38-44d2-9669-cea5bd581752
|
5
|
|
Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation, file e3ad8916-cde4-da0e-e053-3705fe0a2b96
|
4
|
|
Leptin and the ob-receptor as anti-obesity target: recent in silico advances in the comprehension of the protein-protein interaction and rational drug design of anti-obesity lead compounds, file e3ad8916-ce1f-da0e-e053-3705fe0a2b96
|
4
|
|
Evaluation of matrix effect on the GC/MS response of eighteen pesticides by multivariate approach, file e3ad8918-31d9-da0e-e053-3705fe0a2b96
|
4
|
|
Melatonin reduces inflammatory response in human intestinal epithelial cells stimulated by interleukin-1β, file e3ad891f-b2bd-da0e-e053-3705fe0a2b96
|
4
|
|
Phytochemical profile and antioxidant properties of the edible and non-edible portions of black sapote (Diospyros digyna Jacq.), file c4058fc7-4f59-4c94-ad3e-1fc8355c016f
|
3
|
|
The role of side chains in Substituted Pyrrole derivatives towards antiproliferative activity, file e3ad8916-d1b9-da0e-e053-3705fe0a2b96
|
3
|
|
In silico, spectroscopic, and biological insights on annelated pyrrolo[3,2-e]pyrimidines with antiproliferative activity, file e3ad8916-e0d8-da0e-e053-3705fe0a2b96
|
3
|
|
1,2,3-Triazole in Heterocyclic Compounds, Endowed with Biological Activity, through 1,3-Dipolar Cycloadditions, file e3ad8916-e937-da0e-e053-3705fe0a2b96
|
3
|
|
The Repurposing of Old Drugs or Unsuccessful Lead Compounds by in Silico Approaches: New Advances and Perspectives, file e3ad8919-c311-da0e-e053-3705fe0a2b96
|
3
|
|
Kinase Inhibitors in Multitargeted Cancer Therapy, file e3ad891b-5646-da0e-e053-3705fe0a2b96
|
3
|
|
The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA, file e3ad891b-f1be-da0e-e053-3705fe0a2b96
|
3
|
|
Selective in vitro antileukemic activity (HL-60, K-562, MOLT-4, SR) of new chloro-propyl-pyrazolo[1,2-a]benzo[1,2,5]triazepinones, file e3ad891e-a422-da0e-e053-3705fe0a2b96
|
3
|
|
Protective effects of melatonin in inflamed intestinal epithelium are associated with reduced NF-κB activation and changes in DNA methylation status, file e3ad8927-a98d-da0e-e053-3705fe0a2b96
|
3
|
|
Identification of biological targets through the correlation between cell line chemosensitivity and protein expression pattern, file 745871e4-618c-472e-afaa-ce5e17af83f4
|
2
|
|
THE PURPOSING OF NEW COMPOUNDS OR THE RE-PURPOSING OF OLD DRUGS BY MEANS OF MULTIVARIATE ANATYSIS ON
MOLECULAR DESCRIPTORS, file e3ad8915-cafb-da0e-e053-3705fe0a2b96
|
2
|
|
Virtual lock-and-key approach: The in silico revival of Fischer model by means
of molecular descriptors, file e3ad8915-eaf3-da0e-e053-3705fe0a2b96
|
2
|
|
Antiproliferative activity of Pyrrolo[3,2-c]quinoline derivatives, file e3ad8916-1fed-da0e-e053-3705fe0a2b96
|
2
|
|
Hsp60, a novel target for antitumor therapy: Structure-function features and prospective drugs design, file e3ad8916-4f83-da0e-e053-3705fe0a2b96
|
2
|
|
A3 adenosine receptor: Homology modeling and 3D-QSAR studies, file e3ad8916-4fb0-da0e-e053-3705fe0a2b96
|
2
|
|
The influence of substitution in the quinoxaline nucleus on 1,3-dipolar cycloaddition reactions, file e3ad8916-4fce-da0e-e053-3705fe0a2b96
|
2
|
|
Does ligand symmetry play a role in the stabilization of DNA g-quadruplex host-guest complexes?, file e3ad8916-cb1f-da0e-e053-3705fe0a2b96
|
2
|
|
New benzothieno[3,2-d]-1,2,3-triazines with antiproliferative activity: Synthesis, spectroscopic studies, and biological activity, file e3ad8916-cdd8-da0e-e053-3705fe0a2b96
|
2
|
|
DNA-Binding of NiII, CuII and ZnII Complexes of Salen Derivatives, file e3ad8916-cf86-da0e-e053-3705fe0a2b96
|
2
|
|
Ni(II) and Zn(II) Schiff Base complexes: B-DNA vs G4-DNA binding, file e3ad891e-c6b9-da0e-e053-3705fe0a2b96
|
2
|
|
Design of antitumor drugs targeting c-kit receptor by a new mixed ligand-structure based method, file e3ad8925-dd47-da0e-e053-3705fe0a2b96
|
2
|
|
Design, synthesis, and biological evaluation of pyridothienotriazolopyrimidine derivatives as new HSP90 inhibitors, file e3ad8915-cb00-da0e-e053-3705fe0a2b96
|
1
|
|
THE DISCOVERY OF NEW HIF-1 INHIBITORS THROUGH
MOLECULAR MODELING STUDIES, file e3ad8915-cf5d-da0e-e053-3705fe0a2b96
|
1
|
|
A3 Adenosine Receptor: homology modeling and
3D-QSAR studies, file e3ad8915-f372-da0e-e053-3705fe0a2b96
|
1
|
|
Lead optimization through VLAK protocol: New annelated pyrrolo-pyrimidine derivatives as antitumor agents, file e3ad8916-1f4e-da0e-e053-3705fe0a2b96
|
1
|
|
New annelated thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines, with potent anticancer activity, designed through VLAK protocol, file e3ad8916-4f73-da0e-e053-3705fe0a2b96
|
1
|
|
Synthesis and biological activities of a new class of heat shock protein 90 inhibitors, designed by energy-based pharmacophore virtual screening, file e3ad8916-504a-da0e-e053-3705fe0a2b96
|
1
|
|
DERIVATI TIENO[3,2-d]-1,2,3-TRIAZIN-4(3H)ONI ANELLATI:UNA NUOVA CLASSE DI INIBITORI DI AURORA CHINASI A, file e3ad8916-5413-da0e-e053-3705fe0a2b96
|
1
|
|
Exploring the anticancer potential of pyrazolo[1,2-a]benzo[1,2,3,4]tetrazin-3-one derivatives: The effect on apoptosis induction, cell cycle and proliferation, file e3ad8916-5dd7-da0e-e053-3705fe0a2b96
|
1
|
|
An Unexpected Dimroth Rearrangement Leading to Annelated Thieno[3,2-d][1,2,3]triazolo[1,5-a]pyrimidines with Potent Antitumor Activity, file e3ad8916-8539-da0e-e053-3705fe0a2b96
|
1
|
|
Selective G-Quadruplex Stabilizers: Schiff-base Metal Complexes with Anticancer Activity, file e3ad8916-d71a-da0e-e053-3705fe0a2b96
|
1
|
| Totale |
4.624 |