| Nome |
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METODI CHEMIOMETRICI NELLO STUDIO DEGLI INIBITORI DI HIV-1:
TECNICHE STATITICHE MULTIVARIATE E MOLECULAR DOCKING, file e3ad8916-8ef3-da0e-e053-3705fe0a2b96
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855
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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
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520
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Trans-epithelial transport of the betalain pigments indicaxanthin and betanin across Caco-2 cell monolayers and influence of food matrix, file e3ad8916-64d0-da0e-e053-3705fe0a2b96
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515
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Molecular Dynamics studies on Mdm2 complexes: an analysis of the inhibitor
influence, file e3ad8916-169c-da0e-e053-3705fe0a2b96
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345
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In vitro and in silico studies of polycondensed diazine systems as
anti-parasitic agents, file e3ad8916-1041-da0e-e053-3705fe0a2b96
|
282
|
|
Receptor-guided 3D-QSAR approach for the discovery
of c-kit tyrosine kinase inhibitors, file e3ad8916-169e-da0e-e053-3705fe0a2b96
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223
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A multivariate analysis on non-nucleoside HIV-1 reverse transcriptase inhibitors and resistance induced by mutation, file e3ad8917-11aa-da0e-e053-3705fe0a2b96
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215
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Strategies against nonsense: oxadiazoles as translational readthrough-inducing drugs (TRIDs), file e3ad8920-7277-da0e-e053-3705fe0a2b96
|
159
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|
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
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Pharmacophore modelling as useful tool in the lead compounds identification
and optimization, file e3ad8916-16a4-da0e-e053-3705fe0a2b96
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133
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Targeting nonsense: Optimization of 1,2,4-oxadiazole trids to rescue cftr expression and functionality in cystic fibrosis cell model systems, file e3ad8923-3ff7-da0e-e053-3705fe0a2b96
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114
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DA-Phen, a new dopamine aminoacid conjugate: in vivo testing and molecular modeling as dopaminergic modulator, file e3ad8916-dceb-da0e-e053-3705fe0a2b96
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107
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Exploring the SARS-CoV-2 proteome in the search of potential inhibitors via structure-based pharmacophore modeling/docking approach, file e3ad8923-456f-da0e-e053-3705fe0a2b96
|
82
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In Vitro Modulation of P-Glycoprotein Activity by Euphorbia intisy Essential Oil on Acute Myeloid Leukemia Cell Line HL-60R, file e3ad8925-6b93-da0e-e053-3705fe0a2b96
|
80
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Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, file e3ad8927-aff9-da0e-e053-3705fe0a2b96
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79
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MOLECULAR DYNAMICS - MULTIPLE RECEPTOR CONFORMATIONS APPROACH TO ENHANCE STRUCTURE-BASED VIRTUAL SCREENING ON PPAR-alpha RECEPTOR, file e3ad891a-6129-da0e-e053-3705fe0a2b96
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65
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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
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61
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Integrated computational and experimental approaches for the identification of new molecules with readthrough activity on premature termination codons (PTCs) in cystic fibrosis cells, file e3ad891a-5f54-da0e-e053-3705fe0a2b96
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60
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Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF cells, file e3ad891a-896d-da0e-e053-3705fe0a2b96
|
54
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Molecular modelling studies on dopamine-amino acid conjugates as potential dopaminergic modulators, file e3ad891a-6038-da0e-e053-3705fe0a2b96
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52
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Immunoproteasome and Non-Covalent Inhibition: Exploration by Advanced Molecular Dynamics and Docking Methods, file e3ad8926-b42d-da0e-e053-3705fe0a2b96
|
48
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In Silico Design, Synthesis and Biological Evaluation of Anticancer Arylsulfonamide Endowed with Anti-Telomerase Activity, file e3ad8927-c594-da0e-e053-3705fe0a2b96
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46
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Rescuing the CFTR protein function: Introducing 1,3,4-oxadiazoles as translational readthrough inducing drugs, file e3ad8928-1bcb-da0e-e053-3705fe0a2b96
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45
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A dynamic multiple receptor conformations (MD-MRC) approach to enhance early enrichment in virtual screening. A case study on PPAR-alpha, file e3ad891a-350a-da0e-e053-3705fe0a2b96
|
41
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Evaluation of the IKKβ Binding of Indicaxanthin by Induced-Fit Docking, Binding Pose Metadynamics, and Molecular Dynamics, file e3ad8927-5e52-da0e-e053-3705fe0a2b96
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39
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IN THE SEARCH OF LEPTIN AGONISTS AS ANTI-OBESITY DRUGS:
PROTEIN/PROTEIN DOCKING, MOLECULAR DYNAMICS, AND
VIRTUAL SCREENING, file e3ad8916-8afb-da0e-e053-3705fe0a2b96
|
38
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Novel molecules for the readthrough of PTCs in biological model systems and in cystic fibrosis cells, file e3ad891a-7378-da0e-e053-3705fe0a2b96
|
37
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Phytol and Heptacosane Are Possible Tools to Overcome Multidrug Resistance in an In Vitro Model of Acute Myeloid Leukemia, file e3ad8928-1428-da0e-e053-3705fe0a2b96
|
37
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Inhibition of FTSJ1, a tryptophan tRNA-specific 2’-O-methyltransferase as possible mechanism to readthrough premature termination codons (UGAs) of the CFTR mRNA, file 884632a1-6542-456b-b3f5-70ac56ad7e56
|
36
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P015 Translational readthrough inducing drugs: a study of toxicity in mice models and in vitro safety validation of the specific readthrough process., file e3ad8928-04c8-da0e-e053-3705fe0a2b96
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36
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Optimization of a new lead promoting the readthrough of the nonsense mutations for CFTR rescue in human CF cells, file e3ad891b-b4e6-da0e-e053-3705fe0a2b96
|
35
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Redox Properties, Bioactivity and Health Effects of Indicaxanthin, a Bioavailable Phytochemical from Opuntia ficus indica, L.: A Critical Review of Accumulated Evidence and Perspectives, file 7c969aa6-db35-409b-acdc-10b40bb74dae
|
34
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Inside c-kit tyrosine kinase: molecular modeling and
QSAR in the search of new inhibitors, file e3ad8915-caf5-da0e-e053-3705fe0a2b96
|
30
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Molecular Modelling on Leptin and the Ob Receptor as anti-obesity target, file e3ad8916-1f14-da0e-e053-3705fe0a2b96
|
30
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|
Indicaxanthin, a multi-target natural compound from Opuntia ficus-indica fruit: From its poly-pharmacological effects to biochemical mechanisms and molecular modelling studies, file 69c04e02-50c8-4f18-b767-7dc10f619d92
|
25
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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
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|
Synthesis, In Vitro and In Silico Analysis of New Oleanolic Acid and Lupeol Derivatives against Leukemia Cell Lines: Involvement of the NF-κB Pathway, file e3ad8928-d5f0-da0e-e053-3705fe0a2b96
|
23
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Indicaxanthin from Opuntia ficus-indica Crosses the Blood−Brain Barrier and Modulates Neuronal Bioelectric Activity in Rat Hippocampus at Dietary-Consistent Amounts., file e3ad8918-0448-da0e-e053-3705fe0a2b96
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21
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Nonsense codons suppression. An acute toxicity study of three optimized TRIDs in murine model, safety and tolerability evaluation, file 1e5efa24-2980-40c2-bc8c-83ceb570ce7a
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19
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Derivati Ossadiazolici per il trattamento della fibrosi cistica: Readthrough di mutazioni nonsense, file e3ad891e-a938-da0e-e053-3705fe0a2b96
|
18
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Treatment of Complex Regional Pain Syndrome (Crps): New Perspectives in the Use of Sulfonamides as Modulators of P2x Receptors, file 8fac73a8-9fa5-4c18-acb9-7fd3e35cd660
|
17
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Investigating the inhibition of FTSJ1 a tryptophan tRNA-specific
2’-O-methyltransferase by NV TRIDs, as a mechanism of readthrough in
nonsense mutated CFTR, file 91f73f5b-547d-4704-bc86-bde82f8885fe
|
15
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TECNICHE DI MODELLISTICA MOLECOLARE NELLA PROGETTAZIONE DI INIBITORI DELL'ATTIVITÀ TRASCRIZIONALE DI HIF-1, file e3ad8915-e9ec-da0e-e053-3705fe0a2b96
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15
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A dynamic-common pharmacophore approach to improve virtual screening. A case study on PPAR-alpha, file e3ad891a-5f56-da0e-e053-3705fe0a2b96
|
15
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Phytochemical Indicaxanthin Inhibits Colon Cancer Cell Growth and Affects the DNA Methylation Status by Influencing Epigenetically Modifying Enzyme Expression and Activity, file b35ae754-cba7-4617-8fca-616397afe190
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14
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TOWARD ENRICHED VHTS FOR CDK2 INHIBITORS: MOLECULAR DYNAMICS, PHARMACOPHORE MODELLING, AND DOCKING, file e3ad891f-a97b-da0e-e053-3705fe0a2b96
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14
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Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors, file 9c3f32f5-7751-4719-ab51-4a15b9df75cf
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13
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Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation, file e3ad8917-d749-da0e-e053-3705fe0a2b96
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13
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A definitive pharmacophore modelling study on CDK2 ATP pocket binders: Tracing the path of new virtual high-throughput screenings, file e3ad8925-2593-da0e-e053-3705fe0a2b96
|
13
|
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A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α, file e3ad891b-807a-da0e-e053-3705fe0a2b96
|
11
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Rescuing CFTR Protein Function: 1,3,4-oxadiazoles versus 1,2,4-oxadiazoles as readthrough inducing drugs, file e3ad891e-cacc-da0e-e053-3705fe0a2b96
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11
|
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Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies, file e3ad891f-dd6e-da0e-e053-3705fe0a2b96
|
11
|
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The in silico fischer lock-and-key model: The combined use of molecular descriptors and docking poses for the repurposing of old drugs, file e3ad8921-1029-da0e-e053-3705fe0a2b96
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11
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Deciphering the Potential of Pre and Pro-Vitamin D of Mushrooms against Mpro and PLpro Proteases of COVID-19: An In Silico Approach, file 00a98c6d-4cf9-409d-8b1c-63ce63026256
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10
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Sulfonamide moiety as "molecular chimera" in the design of new drugs, file 1a1c77fb-3590-4e83-b2fd-9c853a563ed9
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10
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Investigation on MMACHC-R161Q pathological mutant from cblC disease, file 1e87b36e-55c8-49a5-b61f-45bf6037ee90
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10
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Investigation on quantitative structure-activity relationships of 1,3,4-oxadiazole derivatives as potential telomerase inhibitors, file 289429f1-6616-4c77-8ac2-57ee91756019
|
10
|
|
OXADIAZOLE DERIVATIVES FOR THE TREATMENT OF GENETIC DISEASES DUE TO NONSENSE MUTATIONS, file e3ad8920-74ea-da0e-e053-3705fe0a2b96
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10
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Virtual Screening Strategy and In Vitro Tests to Identify New Inhibitors of the Immunoproteasome, file 0740fe4e-40b1-4257-9663-4f1433bdaceb
|
8
|
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Readthrough Approach Using NV Translational Readthrough-Inducing Drugs (TRIDs): A Study of the Possible Off-Target Effects on Natural Termination Codons (NTCs) on TP53 and Housekeeping Gene Expression, file b990848e-cffc-4846-b1b6-05f0312d0391
|
7
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Uno studio comparativo in silico sui possibili target di Ataluren e analoghi farmaci promotori di readthrough di codoni di stop prematuri, file e3ad891f-07dc-da0e-e053-3705fe0a2b96
|
7
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|
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
|
|
Conf-VLKA: A structure-based revisitation of the Virtual Lock-and-key Approach, file e3ad8919-d258-da0e-e053-3705fe0a2b96
|
6
|
|
Recent advances on CDK inhibitors: An insight by means of in silico methods, file e3ad891b-56fd-da0e-e053-3705fe0a2b96
|
6
|
|
Reverse screening on indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent, file e3ad891d-5d83-da0e-e053-3705fe0a2b96
|
6
|
|
Pharmacophore-Based Design of New Chemical Scaffolds as Translational Readthrough-Inducing Drugs (TRIDs), file e3ad8922-89dd-da0e-e053-3705fe0a2b96
|
6
|
|
Readthrough Inducing Drugs (TRIDs) in human fibroblasts harboring the c.5047 C>T (R1683*) nonsense mutation, file 4e86dfd0-d2c9-4916-83b6-e456e1b6255b
|
5
|
|
Aminoquinolines: Fluorescent sensors to DNA – A minor groove probe. Experimental and in silico studies, file c52c82a2-b46c-4baf-8e5b-5ead292fda5f
|
5
|
|
Exploring the readthrough of nonsense mutations by non-acidic Ataluren analogues selected by ligand-based virtual screening, file e3ad8919-516a-da0e-e053-3705fe0a2b96
|
5
|
|
The Molecular dYnamics SHAred PharmacophorE (MYSHAPE) approacha new tool to arise docking and pharmacophore modeling performance: virtues and vices, file e3ad891b-e930-da0e-e053-3705fe0a2b96
|
5
|
|
Identification and validation of novel molecules obtained by integrated computational and experimental approaches for the read-through of PTCs in CF cells., file e3ad891c-ff25-da0e-e053-3705fe0a2b96
|
5
|
|
A Multivariate Analysis of HIV-1 Protease Inhibitors and Resistance Induced by Mutation, file e3ad891d-cf6d-da0e-e053-3705fe0a2b96
|
5
|
|
Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors, file e3ad8922-ed11-da0e-e053-3705fe0a2b96
|
5
|
|
null, file e3ad8922-eec1-da0e-e053-3705fe0a2b96
|
5
|
|
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
|
|
Design, synthesis and preliminary evaluation of dopamine-amino acid conjugates as potential D1 dopaminergic modulators, file e3ad8919-8929-da0e-e053-3705fe0a2b96
|
4
|
|
Identification of a new molecule with readthrough activity to rescue CFTR protein function, file e3ad891e-be4c-da0e-e053-3705fe0a2b96
|
4
|
|
Reverse Screening on Indicaxanthin from Opuntia ficus-indica as natural chemoactive and chemopreventive agent, file e3ad891e-fc6a-da0e-e053-3705fe0a2b96
|
4
|
|
CHA on CDK2: a way to identify the best pharmacophore model for the virtual screening of new inhibitors, file e3ad891f-07d1-da0e-e053-3705fe0a2b96
|
4
|
|
Investigation on quantitative structure-activity relationships of 1,3,4-oxadiazole derivatives as potential telomerase inhibitors, file e3ad8922-8897-da0e-e053-3705fe0a2b96
|
4
|
|
Phytol and heptacosane: the two major components of Euphorbia intisy essential oil with biological activities in drug resistant leukemia cell., file 39ce99c8-6e2a-45e5-aa78-484a964367ee
|
3
|
|
Computational Approaches and Drug Discovery: Where Are We Going?, file 4b4fd985-fb0e-4ad4-9ce2-c4f5e5dccde7
|
3
|
|
Consensus modelling and molecular dynamics studies for the identification of novel telomerase inhibitors as anti-cancer agents, file e3ad891e-be4f-da0e-e053-3705fe0a2b96
|
3
|
|
Pharmacophore-Based Design of New Chemical Scaffolds as Translational Readthrough-Inducing Drugs (TRIDs), file e3ad8922-8886-da0e-e053-3705fe0a2b96
|
3
|
|
Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies, file e3ad8923-79d4-da0e-e053-3705fe0a2b96
|
3
|
|
Studies on a new potential dopaminergic agent: in vitro BBB permeability, in vivo behavioural effects and molecular docking evaluation, file e3ad8926-88fb-da0e-e053-3705fe0a2b96
|
3
|
|
Exploring the non-covalent ligand-binding mechanism on immunoproteasome by enhanced Molecular Dynamics, file e3ad8926-f482-da0e-e053-3705fe0a2b96
|
3
|
|
Treatment of Complex Regional Pain Syndrome (Crps): New Perspectives in the Use of Sulfonamides as Modulators of P2x Receptors, file f29b8a78-d902-472e-ba45-9a0e280e29c1
|
3
|
|
Aminoquinolines: Fluorescent sensors to DNA – A minor groove probe. Experimental and in silico studies, file 287ebe8a-b387-4f24-af7e-071ded5a9fe9
|
2
|
|
Exploring the SARS-CoV-2 proteome in the search of potential inhibitors via structure-based pharmacophore modeling/docking approach, file 97258434-f66d-4204-8107-d6e1dd88c3eb
|
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
|
|
A3 adenosine receptor: Homology modeling and 3D-QSAR studies, file e3ad8916-4fb0-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
|
|
Molecular modeling studies on dopamine-amino acid conjugates as potential dopaminergic modulators, file e3ad891e-c515-da0e-e053-3705fe0a2b96
|
2
|
|
Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies, file e3ad891f-dd6f-da0e-e053-3705fe0a2b96
|
2
|
|
Rescuing the CFTR protein function: Introducing 1,3,4-oxadiazoles as translational readthrough inducing drugs, file e3ad8923-4496-da0e-e053-3705fe0a2b96
|
2
|
|
Translational Readthrough Inducing Drugs (TRIDs): a study of biodistribution
evaluation in mice models, file eab10e10-f2d1-4769-ac85-047f57ec630f
|
2
|
|
THE DISCOVERY OF NEW HIF-1 INHIBITORS THROUGH
MOLECULAR MODELING STUDIES, file e3ad8915-cf5d-da0e-e053-3705fe0a2b96
|
1
|
| Totale |
5.196 |