An in silico approach to evaluate the bindings of natural flavonoids and RNA–DNA hybrids

New Xanthone Derivatives as Potent G-Quadruplex Binders for Developing Anti-Cancer Therapeutics

(2023) Soma Roy et al.   ACS Pharmacology & Translational Science

In Silico, In Vitro, and In Vivo Evaluation of the Developmental Toxicity, Estrogenic Activity, and Mutagenicity of Four Natural Phenolic Flavonoids at Low Exposure Levels

(2022) Xinwen Zhang et al.   ACS Omega

When Virtual Screening Yields Inactive Drugs: Dealing with False Theoretical Friends

(2022) José P. Cerón‐Carrasco   ChemMedChem

Chemical Information and Computational Modeling of Targeting Hybrid Nucleic Acid Structures of PIM1 Sequences by Synthetic Pyrrole-Imidazole Carboxamide Drugs

(2022) Soma Roy et al.   Journal of Chemical Information and Modeling

Deciphering the Binding Insights of Novel Disubstituted Anthraquinone Derivatives with G‐Quadruplex DNA to Exhibit Selective Cancer Cell Cytotoxicity

(2022) Soma Roy et al.   ChemMedChem

Design and Synthesis of Xanthone Analogues Conjugated with Aza‐aromatic Substituents as Promising G‐Quadruplex Stabilizing Ligands and their Selective Cancer Cell Cytotoxic Action

(2022) Soma Roy et al.   CHEMBIOCHEM

Quercetin: Its Main Pharmacological Activity and Potential Application in Clinical Medicine

(2021) Dengyu Yang et al.   Oxidative Medicine and Cellular Longevity

Recent advances in the development of small molecules targeting RNA G-quadruplexes for drug discovery

(2021) Yanfei Tao et al.   BIOORGANIC CHEMISTRY

Flavonoids-Macromolecules Interactions in Human Diseases with Focus on Alzheimer, Atherosclerosis and Cancer

(2021) Dana Atrahimovich et al.   Antioxidants

Strengths and Weaknesses of Docking Simulations in the SARS-CoV-2 Era: the Main Protease (Mpro) Case Study

(2021) Manuel A. Llanos et al.   Journal of Chemical Information and Modeling

Theoretical Insight into the Library Screening Approach for Binding of Intermolecular G-Quadruplex RNA and Small Molecules through Docking and Molecular Dynamics Simulation Studies

(2021) Soma Roy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Importance of Flavonoids and Phytochemicals of Medicinal Plants with Antiviral Activities

(2021) Mohamad Hesam Shahrajabian et al.   MINI-REVIEWS IN ORGANIC CHEMISTRY

Roles of non-canonical structures of nucleic acids in cancer and neurodegenerative diseases

(2021) Hisae Tateishi-Karimata et al.   NUCLEIC ACIDS RESEARCH

Binding mechanism of inhibitors to SARS-CoV-2 main protease deciphered by multiple replica molecular dynamics simulations

(2021) Shanshan Liang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The dark side of RNA:DNA hybrids

(2020) Alessandra Brambati et al.   MUTATION RESEARCH-REVIEWS IN MUTATION RESEARCH

Flavonoids as Anticancer Agents

(2020) Dalia M. Kopustinskiene et al.   Nutrients

Comprehensive study of the interaction between Puerariae Radix flavonoids and DNA: From theoretical simulation to structural analysis to functional analysis

(2020) Xu Chen et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Recent Research on Flavonoids and their Biomedical applications

(2020) Kui Cheng et al.   CURRENT MEDICINAL CHEMISTRY

Specific stabilization of promoter G-Quadruplex DNA by 2,6-disubstituted amidoanthracene-9,10-dione based dimeric distamycin analogues and their selective cancer cell cytotoxicity

(2020) Soma Roy et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

In-silico identification of new inhibitors for Low-density lipoprotein receptor-related protein6 (LRP6)

(2020) Maryam Enayatkhani et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Recent Update on Targeting c-MYC G-Quadruplexes by Small Molecules for Anticancer Therapeutics

(2020) Ritapa Chaudhuri et al.   JOURNAL OF MEDICINAL CHEMISTRY

Synthesis, Characterization, and Biomedical Applications of an Alkylated Quercetin–Gadolinium Complex

(2019) Sathyasivam Kaviarasi et al.   ACS Biomaterials-Science & Engineering

DNA binding interaction studies of flavonoid complexes of Cu(II) and Fe(II) and determination of their chemotherapeutic potential

(2019) Erum Jabeen et al.   INORGANICA CHIMICA ACTA

Novel Oligopyrrole Carboxamide based Nickel(II) and Palladium(II) Salens, Their Targeting of Human G-Quadruplex DNA, and Selective Cancer Cell Toxicity

(2016) Asfa Ali et al.   Chemistry-An Asian Journal

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Role for RNA:DNA hybrids in origin-independent replication priming in a eukaryotic system

(2015) Ruth Stuckey et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

RNA:DNA hybrids in the human genome have distinctive nucleotide characteristics, chromatin composition, and transcriptional relationships

(2015) Julie Nadel et al.   Epigenetics & Chromatin

Structural Insight into the interaction of Flavonoids with Human Telomeric Sequence

(2015) Arpita Tawani et al.   Scientific Reports

Dimeric 1,3-Phenylene-bis(piperazinyl benzimidazole)s: Synthesis and Structure–Activity Investigations on their Binding with Human Telomeric G-Quadruplex DNA and Telomerase Inhibition Properties

(2012) Akash K Jain et al.   JOURNAL OF MEDICINAL CHEMISTRY

Stabilization and Structural Alteration of the G-Quadruplex DNA Made from the Human Telomeric Repeat Mediated by Tröger’s Base Based Novel Benzimidazole Derivatives

(2012) Ananya Paul et al.   JOURNAL OF MEDICINAL CHEMISTRY

Symmetrical Bisbenzimidazoles with Benzenediyl Spacer: The Role of the Shape of the Ligand on the Stabilization and Structural Alterations in Telomeric G-Quadruplex DNA and Telomerase Inhibition

(2010) Santanu Bhattacharya et al.   BIOCONJUGATE CHEMISTRY

Plant Polyphenols as Dietary Antioxidants in Human Health and Disease

(2010) Kanti Bhooshan Pandey et al.   Oxidative Medicine and Cellular Longevity

Synthesis and Evaluation of a Novel Class of G-Quadruplex-Stabilizing Small Molecules Based on the 1,3-Phenylene-Bis(piperazinyl benzimidazole) System

(2009) Akash K. Jain et al.   BIOCHEMISTRY

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Recognition of the unique structure of DNA:RNA hybrids

(2008) Nicholas N. Shaw et al.   BIOCHIMIE

Luteolin, a Flavonoid with Potential for Cancer Prevention and Therapy

(2008) Yong Lin et al.   CURRENT CANCER DRUG TARGETS

Evaluation of Flavonoids Binding to DNA Duplexes by Electrospray Ionization Mass Spectrometry

(2008) Z WANG et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY