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Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs

Marine drugs, 2023-01, Vol.21 (2), p.100

Gago, Federico

2023

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Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin

Journal of computer-aided molecular design, 2021-06, Vol.35 (6), p.707-719

2021

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On the Need to Tell Apart Fraternal Twins eEF1A1 and eEF1A2, and Their Respective Outfits

International journal of molecular sciences, 2021-06, Vol.22 (13), p.6973

2021

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Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts

Journal of computer-aided molecular design, 2020-03, Vol.34 (3), p.253-265

2020

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Structural Landscape of the Transition from an ssDNA Dumbbell Plus Its Complementary Hairpin to a dsDNA Microcircle Via a Kissing Loop Intermediate

Molecules (Basel, Switzerland), 2021-05, Vol.26 (10), p.3017

2021

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The dual role of thymidine phosphorylase in cancer development and chemotherapy

Medicinal research reviews, 2009-11, Vol.29 (6), p.903-953

2009

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A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria

Nature communications, 2024-02, Vol.15 (1), p.1343-1343, Article 1343

2024

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Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

Journal of computer-aided molecular design, 2020-10, Vol.34 (10), p.1045-1062

2020

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Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis

Applied microbiology and biotechnology, 2018-08, Vol.102 (16), p.6947-6957

2018

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Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin

Scientific reports, 2016-10, Vol.6 (1), p.35100-35100, Article 35100

2016

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Insertion of an Amphipathic Linker in a Tetrapodal Tryptophan Derivative Leads to a Novel and Highly Potent Entry Inhibitor of Enterovirus A71 Clinical Isolates

International journal of molecular sciences, 2023-02, Vol.24 (4), p.3539

2023

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Viral engagement with host receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid

PLoS pathogens, 2019-05, Vol.15 (5), p.e1007760-e1007760

2019

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Structural insight into the stabilization of microtubules by taxanes

eLife, 2023-03, Vol.12

2023

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Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids

Anti-cancer agents in medicinal chemistry, 2012-03, Vol.12 (3), p.219

2012

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Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’‐DeoxyribosylTransferase from Trypanosoma brucei

ChemCatChem, 2018-10, Vol.10 (19), p.4406-4416

2018

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Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B

Journal of computer-aided molecular design, 2017-10, Vol.31 (10), p.915-928

2017

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Molecular basis of the final step of cell division in Streptococcus pneumoniae

Cell reports (Cambridge), 2023-07, Vol.42 (7), p.112756-112756, Article 112756

2023

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Temperature-induced melting of double-stranded DNA in the absence and presence of covalently bonded antitumour drugs: insight from molecular dynamics simulations

Nucleic acids research, 2011-10, Vol.39 (18), p.8248

2011

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Cross-talk between nucleotide excision and homologous recombination DNA repair pathways in the mechanism of action of antitumor trabectedin

Cancer research (Chicago, Ill.), 2006-08, Vol.66 (16), p.8155-8162

2006

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Synthesis and Cytotoxicity of 7,9- O -Linked Macrocyclic C-Seco Taxoids

Molecules (Basel, Switzerland), 2019-06, Vol.24 (11), p.2161

2019

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Structural and mechanistic insight into DNA bending by antitumour calicheamicins

Organic & biomolecular chemistry, 2021-08, Vol.19 (3), p.677-6717

2021

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Hakin-1, a New Specific Small-Molecule Inhibitor for the E3 Ubiquitin-Ligase Hakai, Inhibits Carcinoma Growth and Progression

Cancers, 2020-05, Vol.12 (5), p.1340

2020

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(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase

Molecules (Basel, Switzerland), 2019-06, Vol.24 (13), p.2360

2019

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A Versatile Class of 1,4,4-Trisubstituted Piperidines Block Coronavirus Replication In Vitro

Pharmaceuticals (Basel, Switzerland), 2022-08, Vol.15 (8), p.1021

2022

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N-Ribosyltransferase From Archaeoglobus veneficus: A Novel Halotolerant and Thermostable Biocatalyst for the Synthesis of Purine Ribonucleoside Analogs

Frontiers in bioengineering and biotechnology, 2020-06, Vol.8, p.593-593

2020

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Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs

Insight into the sequence-specific elements leading to increased DNA bending and ligase-mediated circularization propensity by antitumor trabectedin

On the Need to Tell Apart Fraternal Twins eEF1A1 and eEF1A2, and Their Respective Outfits

Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts

Structural Landscape of the Transition from an ssDNA Dumbbell Plus Its Complementary Hairpin to a dsDNA Microcircle Via a Kissing Loop Intermediate

The dual role of thymidine phosphorylase in cancer development and chemotherapy

A distinctive family of L,D-transpeptidases catalyzing L-Ala-mDAP crosslinks in Alpha- and Betaproteobacteria

Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

Characterization of an atypical, thermostable, organic solvent- and acid-tolerant 2′-deoxyribosyltransferase from Chroococcidiopsis thermalis

Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin

Insertion of an Amphipathic Linker in a Tetrapodal Tryptophan Derivative Leads to a Novel and Highly Potent Entry Inhibitor of Enterovirus A71 Clinical Isolates

Viral engagement with host receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid

Structural insight into the stabilization of microtubules by taxanes

Tubulin-based structure-affinity relationships for antimitotic Vinca alkaloids

Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’‐DeoxyribosylTransferase from Trypanosoma brucei

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B

Molecular basis of the final step of cell division in Streptococcus pneumoniae

Temperature-induced melting of double-stranded DNA in the absence and presence of covalently bonded antitumour drugs: insight from molecular dynamics simulations

Cross-talk between nucleotide excision and homologous recombination DNA repair pathways in the mechanism of action of antitumor trabectedin

Synthesis and Cytotoxicity of 7,9- O -Linked Macrocyclic C-Seco Taxoids

Structural and mechanistic insight into DNA bending by antitumour calicheamicins

Hakin-1, a New Specific Small-Molecule Inhibitor for the E3 Ubiquitin-Ligase Hakai, Inhibits Carcinoma Growth and Progression

(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase

A Versatile Class of 1,4,4-Trisubstituted Piperidines Block Coronavirus Replication In Vitro

N-Ribosyltransferase From Archaeoglobus veneficus: A Novel Halotolerant and Thermostable Biocatalyst for the Synthesis of Purine Ribonucleoside Analogs

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