Targeting G-quadruplexes with Organic Dyes: Chelerythrine–DNA Binding Elucidated by Combining Molecular Modeling and Optical Spectroscopy

Interplay of Three G-Quadruplex Units in the KIT Promoter

(2019) Cosimo Ducani et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Human NEIL3 Gene Expression Regulated by Epigenetic-Like Oxidative DNA Modification

(2019) Aaron M. Fleming et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Human DNA Telomeres in Presence of Oxidative Lesions: The Crucial Role of Electrostatic Interactions on the Stability of Guanine Quadruplexes

(2019) Hognon et al.   Antioxidants

Chelerythrine induced cell death through ROS-dependent ER stress in human prostate cancer cells

(2018) Songjiang Wu et al.   OncoTargets and Therapy

Transition Metal Complexes and Photodynamic Therapy from a Tumor-Centered Approach: Challenges, Opportunities, and Highlights from the Development of TLD1433

(2018) Susan Monro et al.   CHEMICAL REVIEWS

Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations

(2017) Hugo Gattuso et al.   Journal of Chemical Theory and Computation

DNA G-quadruplexes in the human genome: detection, functions and therapeutic potential

(2017) Robert Hänsel-Hertsch et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY

Quadruplex nucleic acids as targets for anticancer therapeutics

(2017) Stephen Neidle   Nature Reviews Chemistry

Overcoming the Achilles' heel of photodynamic therapy

(2016) Wenpei Fan et al.   CHEMICAL SOCIETY REVIEWS

Assessing the Current State of Amber Force Field Modifications for DNA

(2016) Rodrigo Galindo-Murillo et al.   Journal of Chemical Theory and Computation

Anticancer metal drugs and immunogenic cell death

(2016) Alessio Terenzi et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Quadruplex Nucleic Acids as Novel Therapeutic Targets

(2016) Stephen Neidle   JOURNAL OF MEDICINAL CHEMISTRY

Circular Dichroism of DNA G-Quadruplexes: Combining Modeling and Spectroscopy To Unravel Complex Structures

(2016) Hugo Gattuso et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A novel transition pathway of ligand-induced topological conversion from hybrid forms to parallel forms of human telomeric G-quadruplexes

(2016) Zi-Fu Wang et al.   NUCLEIC ACIDS RESEARCH

Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation

(2016) Hugo Gattuso et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A fast but accurate excitonic simulation of the electronic circular dichroism of nucleic acids: how can it be achieved?

(2016) Daniele Loco et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DNA photo-cleaving agents in the far-red to near-infrared range – a review

(2016) Ziyi Li et al.   RSC Advances

Zika Virus Genomic RNA Possesses Conserved G-Quadruplexes Characteristic of the Flaviviridae Family

(2016) Aaron M. Fleming et al.   ACS Infectious Diseases

Effective Two-Photon Excited Photodynamic Therapy of Xenograft Tumors Sensitized by Water-Soluble Bis(arylidene)cycloalkanone Photosensitizers

(2015) Qianli Zou et al.   JOURNAL OF MEDICINAL CHEMISTRY

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

(2015) Elise Dumont et al.   Journal of Physical Chemistry Letters

Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian

(2015) Hugo Gattuso et al.   THEORETICAL CHEMISTRY ACCOUNTS

Understanding DNA under oxidative stress and sensitization: the role of molecular modeling

(2015) Elise Dumont et al.   Frontiers in Chemistry

Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory

(2014) Thibaut Véry et al.   CHEMISTRY-A EUROPEAN JOURNAL

The endogenous exposome

(2014) Jun Nakamura et al.   DNA REPAIR

Interaction of Palmatine with DNA: An Environmentally Controlled Phototherapy Drug

(2014) Élise Dumont et al.   JOURNAL OF PHYSICAL CHEMISTRY B

New Insights into the Mechanism of the DNA/Doxorubicin Interaction

(2014) Cristina Pérez-Arnaiz et al.   JOURNAL OF PHYSICAL CHEMISTRY B

UV Signature Mutations

(2014) Douglas E. Brash   PHOTOCHEMISTRY AND PHOTOBIOLOGY

Recognition of Chelerythrine to Human Telomeric DNA and RNA G-quadruplexes

(2014) Li-Ping Bai et al.   Scientific Reports

Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes

(2013) Agisilaos Chantzis et al.   CHEMICAL PHYSICS LETTERS

Using collective variables to drive molecular dynamics simulations

(2013) Giacomo Fiorin et al.   MOLECULAR PHYSICS

Replication fork collapse is a major cause of the high mutation frequency at three-base lesion clusters

(2013) Yuliya Sedletska et al.   NUCLEIC ACIDS RESEARCH

Genotoxicity of Polycyclic Aromatic Hydrocarbons and Nitro-Derived in Respirable Airborne Particulate Matter Collected from Urban Areas of Rio de Janeiro (Brazil)

(2013) Claudia Ramos de Rainho et al.   Biomed Research International

Theoretical Modeling of Large Molecular Systems. Advances in the Local Self Consistent Field Method for Mixed Quantum Mechanics/Molecular Mechanics Calculations

(2012) Antonio Monari et al.   ACCOUNTS OF CHEMICAL RESEARCH

Benzophenone Photosensitized DNA Damage

(2012) M. Consuelo Cuquerella et al.   ACCOUNTS OF CHEMICAL RESEARCH

Biological consequences of formation and repair of complex DNA damage

(2012) Karin Magnander et al.   CANCER LETTERS

Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?

(2012) James C. Gumbart et al.   Journal of Chemical Theory and Computation

Molecular engineering of G-quadruplex ligands based on solvent effect of polyethylene glycol

(2012) Zi-Fu Wang et al.   NUCLEIC ACIDS RESEARCH

Metabolically Competent Human Skin Models: Activation and Genotoxicity of Benzo[a]pyrene

(2012) Joep Brinkmann et al.   TOXICOLOGICAL SCIENCES

Targeting G-quadruplexes in gene promoters: a novel anticancer strategy?

(2011) Shankar Balasubramanian et al.   NATURE REVIEWS DRUG DISCOVERY

DNA damage spectra induced by photosensitization

(2011) Bernd Epe   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Unravelling UVA-induced mutagenesis

(2011) Evelyne Sage et al.   PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES

Effect of the chemical composition of organic extracts from environmental and industrial atmospheric samples on the genotoxicity of polycyclic aromatic hydrocarbons mixtures

(2011) Adeline Tarantini et al.   TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY

Cisplatin as an Anti-Tumor Drug: Cellular Mechanisms of Activity, Drug Resistance and Induced Side Effects

(2011) Ana-Maria Florea et al.   Cancers

Determining association constants from titration experiments in supramolecular chemistry

(2010) Pall Thordarson   CHEMICAL SOCIETY REVIEWS

Algorithms for the determination of binding constants and enantiomeric excess in complex host : guest equilibria using optical measurements

(2010) Amanda E. Hargrove et al.   NEW JOURNAL OF CHEMISTRY

Mechanisms of mutation formation with long-wave ultraviolet light (UVA)

(2010) Thomas M. Rünger et al.   PHOTODERMATOLOGY PHOTOIMMUNOLOGY & PHOTOMEDICINE

Ultraviolet A within Sunlight Induces Mutations in the Epidermal Basal Layer of Engineered Human Skin

(2009) Xiao Xuan Huang et al.   AMERICAN JOURNAL OF PATHOLOGY

Characterization of DNA Damage Induced by a Natural Product Antitumor Antibiotic Leinamycin in Human Cancer Cells

(2009) Velliyur Viswesh et al.   CHEMICAL RESEARCH IN TOXICOLOGY