Quantum chemical properties investigation and molecular docking analysis with DNA topoisomerase II of β-carboline indole alkaloids from Simaba guianensis: a combined experimental and theoretical DFT study

Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

(2017) Renyer A. Costa et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine

(2017) Renyer A. Costa et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Structural, Vibrational, and Electronic Properties of the Glucoalkaloid Strictosidine: A Combined Experimental and Theoretical Study

(2016) Renyer Alves Costa et al.   Journal of Chemistry

Canthinone alkaloids are novel protein tyrosine phosphatase 1B inhibitors

(2015) Tatsunori Sasaki et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pharmacological Importance of Optically Active Tetrahydro-β-carbolines and Synthetic Approaches to Create the C1 Stereocenter

(2014) Aino Laine et al.   MOLECULES

A comparison of the chemical reactivity of naringenin calculated with the M06 family of density functionals

(2013) Daniel Glossman-Mitnik   Chemistry Central Journal

On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs

(2013) Chyuan-Chuan Wu et al.   NUCLEIC ACIDS RESEARCH

Oxidative Burst Inhibitory and Cytotoxic Activity of Constituents of the Fruits of Odyendyea gabonensis

(2012) Suzye Moladje Donkwe et al.   PLANTA MEDICA

Constituintes químicos dos galhos de Simaba guianensis subesp. ecaudata (Cronquist)

(2012) Rita de Cássia Saraiva Nunomura et al.   QUIMICA NOVA

Chemical Constituents of Plants from the Genus Simaba (Simaroubaceae)

(2011) Lara Fonseca Barbosa et al.   CHEMISTRY & BIODIVERSITY

The nucleophilicity N index in organic chemistry

(2011) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Computational molecular characterization of the flavonoid rutin

(2010) Sergio A Payán-Gómez et al.   Chemistry Central Journal

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study†

(2008) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

Potential antimalarial activity of indole alkaloids

(2007) Michel Frederich et al.   TRANSACTIONS OF THE ROYAL SOCIETY OF TROPICAL MEDICINE AND HYGIENE