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ABCC Transporters Mediate the Vacuolar Accumulation of Crocins in Saffron Stigmas.
- Published in:
- Plant Cell, 2019, v. 31, n. 11, p. 2789, doi. 10.1105/tpc.19.00193
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- Publication type:
- Article
DJ-1 Proteoforms in Breast Cancer Cells: The Escape of Metabolic Epigenetic Misregulation.
- Published in:
- Cells (2073-4409), 2020, v. 9, n. 9, p. 1968, doi. 10.3390/cells9091968
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- Publication type:
- Article
Neurodegeneration: can metabolites from Eremurus persicus help?
- Published in:
- Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1309766
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- Publication type:
- Article
A Comparative Docking Strategy to Identify Polyphenolic Derivatives as Promising Antineoplastic Binders of G-quadruplex DNA c-myc and bcl-2 Sequences.
- Published in:
- Molecular Informatics, 2016, v. 35, n. 8/9, p. 391, doi. 10.1002/minf.201501040
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- Publication type:
- Article
Molecular recognition of a carboxy pyridostatin toward G-quadruplex structures: Why does it prefer RNA?
- Published in:
- Chemical Biology & Drug Design, 2017, v. 90, n. 5, p. 919, doi. 10.1111/cbdd.13015
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- Publication type:
- Article
Natural Agents as Novel Potential Source of Proteasome Inhibitors with Anti-Tumor Activity: Focus on Multiple Myeloma.
- Published in:
- Molecules, 2023, v. 28, n. 3, p. 1438, doi. 10.3390/molecules28031438
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- Publication type:
- Article
Targeting SARS-CoV-2 nsp13 Helicase and Assessment of Druggability Pockets: Identification of Two Potent Inhibitors by a Multi-Site In Silico Drug Repurposing Approach.
- Published in:
- Molecules, 2022, v. 27, n. 21, p. 7522, doi. 10.3390/molecules27217522
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- Publication type:
- Article
Anti-Multiple Myeloma Potential of Secondary Metabolites from Hibiscus sabdariffa —Part 2.
- Published in:
- Molecules, 2021, v. 26, n. 21, p. 6596, doi. 10.3390/molecules26216596
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- Publication type:
- Article
iT4SE-EP: Accurate Identification of Bacterial Type IV Secreted Effectors by Exploring Evolutionary Features from Two PSI-BLAST Profiles.
- Published in:
- Molecules, 2021, v. 26, n. 9, p. 2487, doi. 10.3390/molecules26092487
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- Publication type:
- Article
PyPLIF HIPPOS-Assisted Prediction of Molecular Determinants of Ligand Binding to Receptors.
- Published in:
- Molecules, 2021, v. 26, n. 9, p. 2452, doi. 10.3390/molecules26092452
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- Publication type:
- Article
Computational Modeling to Explain Why 5,5-Diarylpentadienamides are TRPV1 Antagonists.
- Published in:
- Molecules, 2021, v. 26, n. 6, p. 1765, doi. 10.3390/molecules26061765
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- Publication type:
- Article
Binding of Androgen- and Estrogen-Like Flavonoids to Their Cognate (Non)Nuclear Receptors: A Comparison by Computational Prediction.
- Published in:
- Molecules, 2021, v. 26, n. 6, p. 1613, doi. 10.3390/molecules26061613
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- Publication type:
- Article
Heterocyclic Substitutions Greatly Improve Affinity and Stability of Folic Acid towards FRα. an In Silico Insight.
- Published in:
- Molecules, 2021, v. 26, n. 4, p. 1079, doi. 10.3390/molecules26041079
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- Publication type:
- Article
In Silico Study of Polyunsaturated Fatty Acids as Potential SARS-CoV-2 Spike Protein Closed Conformation Stabilizers: Epidemiological and Computational Approaches.
- Published in:
- Molecules, 2021, v. 26, n. 3, p. 711, doi. 10.3390/molecules26030711
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- Publication type:
- Article
Molecular Docking Suggests the Targets of Anti-Mycobacterial Natural Products.
- Published in:
- Molecules, 2021, v. 26, n. 2, p. 475, doi. 10.3390/molecules26020475
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- Publication type:
- Article
Natural Products Extracted from Fungal Species as New Potential Anti-Cancer Drugs: A Structure-Based Drug Repurposing Approach Targeting HDAC7.
- Published in:
- Molecules, 2020, v. 25, n. 23, p. 5524, doi. 10.3390/molecules25235524
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- Publication type:
- Article
Machine Learning Methods in Drug Discovery.
- Published in:
- Molecules, 2020, v. 25, n. 22, p. 5277, doi. 10.3390/molecules25225277
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- Publication type:
- Article
Five Novel Non-Sialic Acid-Like Scaffolds Inhibit In Vitro H1N1 and H5N2 Neuraminidase Activity of Influenza a Virus.
- Published in:
- Molecules, 2020, v. 25, n. 18, p. 4248, doi. 10.3390/molecules25184248
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- Publication type:
- Article
Probing the Highly Disparate Dual Inhibitory Mechanisms of Novel Quinazoline Derivatives against Mycobacterium tuberculosis Protein Kinases A and B.
- Published in:
- Molecules, 2020, v. 25, n. 18, p. 4247, doi. 10.3390/molecules25184247
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- Publication type:
- Article
Computational Method for Quantitative Comparison of Activity Landscapes on the Basis of Image Data.
- Published in:
- Molecules, 2020, v. 25, n. 17, p. 3952, doi. 10.3390/molecules25173952
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- Publication type:
- Article
Literature-Wide Association Studies (LWAS) for a Rare Disease: Drug Repurposing for Inflammatory Breast Cancer.
- Published in:
- Molecules, 2020, v. 25, n. 17, p. 3933, doi. 10.3390/molecules25173933
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- Publication type:
- Article
Alkylated Sesamol Derivatives as Potent Antioxidants.
- Published in:
- Molecules, 2020, v. 25, n. 14, p. 3300, doi. 10.3390/molecules25143300
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- Publication type:
- Article
Computational Methods for the Identification of Molecular Targets of Toxic Food Additives. Butylated Hydroxytoluene as a Case Study.
- Published in:
- Molecules, 2020, v. 25, n. 9, p. 2229, doi. 10.3390/molecules25092229
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- Publication type:
- Article
Multi-Targeting Bioactive Compounds Extracted from Essential Oils as Kinase Inhibitors.
- Published in:
- Molecules, 2020, v. 25, n. 9, p. 2174, doi. 10.3390/molecules25092174
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- Publication type:
- Article
Application of MM-PBSA Methods in Virtual Screening.
- Published in:
- Molecules, 2020, v. 25, n. 8, p. 1971, doi. 10.3390/molecules25081971
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- Publication type:
- Article
Structure-Based Virtual Screening, Molecular Dynamics and Binding Free Energy Calculations of Hit Candidates as ALK-5 Inhibitors.
- Published in:
- Molecules, 2020, v. 25, n. 2, p. 264, doi. 10.3390/molecules25020264
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- Publication type:
- Article
Modeling Physico-Chemical ADMET Endpoints with Multitask Graph Convolutional Networks.
- Published in:
- Molecules, 2020, v. 25, n. 1, p. 44, doi. 10.3390/molecules25010044
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- Publication type:
- Article
Chemoinformatic Database Building and in Silico Hit-Identification of Potential Multi-Targeting Bioactive Compounds Extracted from Mushroom Species.
- Published in:
- Molecules, 2017, v. 22, n. 9, p. 1571, doi. 10.3390/molecules22091571
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- Publication type:
- Article
Structure-Based Virtual Screening of Novel Natural Alkaloid Derivatives as Potential Binders of h-telo and c-myc DNA G-Quadruplex Conformations.
- Published in:
- Molecules, 2015, v. 20, n. 1, p. 206, doi. 10.3390/molecules20010206
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- Publication type:
- Article
Identification of New Natural DNA G-Quadruplex Binders Selected by a Structure-Based Virtual Screening Approach.
- Published in:
- Molecules, 2013, v. 18, n. 10, p. 12051, doi. 10.3390/molecules181012051
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- Publication type:
- Article
An extensive review on phenolic compounds and their potential estrogenic properties on skin physiology.
- Published in:
- Frontiers in Cell & Developmental Biology, 2024, p. 01, doi. 10.3389/fcell.2023.1305835
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- Publication type:
- Article
Exploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach.
- Published in:
- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-32084-z
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- Publication type:
- Article
Extended Naphthalene Diimides with Donor/Acceptor Hydrogen-Bonding Properties Targeting G-Quadruplex Nucleic Acids.
- Published in:
- European Journal of Organic Chemistry, 2016, v. 2016, n. 28, p. 4824, doi. 10.1002/ejoc.201600757
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- Publication type:
- Article
Pyrazolones Activate the Proteasome by Gating Mechanisms and Protect Neuronal Cells from β‐Amyloid Toxicity.
- Published in:
- ChemMedChem, 2020, v. 15, n. 3, p. 302, doi. 10.1002/cmdc.201900612
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- Publication type:
- Article
Short- and Long-Term Regulation of HuD: A Molecular Switch Mediated by Folic Acid?
- Published in:
- International Journal of Molecular Sciences, 2023, v. 24, n. 15, p. 12201, doi. 10.3390/ijms241512201
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- Publication type:
- Article
From Nature to Synthetic Compounds: Novel 1(N),2,3 Trisubstituted-5-oxopyrrolidines Targeting Multiple Myeloma Cells.
- Published in:
- International Journal of Molecular Sciences, 2022, v. 23, n. 21, p. 13061, doi. 10.3390/ijms232113061
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- Publication type:
- Article
New raltegravir resistance pathways induce broad cross-resistance to all currently used integrase inhibitors.
- Published in:
- Journal of Antimicrobial Chemotherapy (JAC), 2014, v. 69, n. 8, p. 2118, doi. 10.1093/jac/dku095
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- Publication type:
- Article
New raltegravir resistance pathways induce broad cross-resistance to all currently used integrase inhibitors.
- Published in:
- 2014
- By:
- Publication type:
- journal article
Identification of a rare mutation at reverse transcriptase Lys65 (K65E) in HIV-1-infected patients failing on nucleos(t)ide reverse transcriptase inhibitors.
- Published in:
- 2013
- By:
- Publication type:
- Journal Article
Structural modifications induced by specific HIV-1 protease-compensatory mutations have an impact on the virological response to a first-line lopinavir/ritonavir-containing regimen.
- Published in:
- 2013
- By:
- Publication type:
- Journal Article
Identification of a rare mutation at reverse transcriptase Lys65 (K65E) in HIV-1-infected patients failing on nucleos(t)ide reverse transcriptase inhibitors.
- Published in:
- Journal of Antimicrobial Chemotherapy (JAC), 2013, v. 68, n. 10, p. 2199, doi. 10.1093/jac/dkt200
- By:
- Publication type:
- Article
Structural modifications induced by specific HIV-1 protease-compensatory mutations have an impact on the virological response to a first-line lopinavir/ritonavir-containing regimen.
- Published in:
- Journal of Antimicrobial Chemotherapy (JAC), 2013, v. 68, n. 10, p. 2205, doi. 10.1093/jac/dkt173
- By:
- Publication type:
- Article
Specific HIV-1 integrase polymorphisms change their prevalence in untreated versus antiretroviral-treated HIV-1-infected patients, all naive to integrase inhibitors.
- Published in:
- Journal of Antimicrobial Chemotherapy (JAC), 2010, v. 65, n. 11, p. 2305, doi. 10.1093/jac/dkq326
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- Publication type:
- Article
Folding intermediate states of the parallel human telomeric G-quadruplex DNA explored using Well-Tempered Metadynamics.
- Published in:
- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-59774-x
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- Publication type:
- Article
Molecular interaction fields in drug discovery: recent advances and future perspectives.
- Published in:
- WIREs: Computational Molecular Science, 2013, v. 3, n. 6, p. 594, doi. 10.1002/wcms.1150
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- Publication type:
- Article
Conformation and Stability of Intramolecular Telomeric G-Quadruplexes: Sequence Effects in the Loops.
- Published in:
- PLoS ONE, 2013, v. 8, n. 12, p. 1, doi. 10.1371/journal.pone.0084113
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- Publication type:
- Article
HCV Genotypes Are Differently Prone to the Development of Resistance to Linear and Macrocyclic Protease Inhibitors.
- Published in:
- PLoS ONE, 2012, v. 7, n. 7, p. 1, doi. 10.1371/journal.pone.0039652
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- Publication type:
- Article
TCL1A interacts with TP63 and enhances the survival of Raji Burkitt lymphoma cell line.
- Published in:
- British Journal of Haematology, 2018, v. 183, n. 3, p. 509, doi. 10.1111/bjh.14989
- By:
- Publication type:
- Article
Hit Identification of a Novel Dual Binder for h-telo/c-myc G-Quadruplex by a Combination of Pharmacophore Structure-Based Virtual Screening and Docking Refinement.
- Published in:
- ChemMedChem, 2016, v. 11, n. 16, p. 1721, doi. 10.1002/cmdc.201600053
- By:
- Publication type:
- Article
Back Cover: Hit Identification of a Novel Dual Binder for h-telo/c-myc G-Quadruplex by a Combination of Pharmacophore Structure-Based Virtual Screening and Docking Refinement (ChemMedChem 16/2016).
- Published in:
- ChemMedChem, 2016, v. 11, n. 16, p. 1875, doi. 10.1002/cmdc.201600393
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- Publication type:
- Article