Publications by authors named "David Zorrilla"

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Exploring novel aromatase cytochrome P450-binding ligands: Molecular docking and QSAR study of phorbol esters as aromatase inhibitors.
Abdellah Ezzanad, Felipe Escobar-Montaño, Jesus Sánchez-Márquez, David Zorrilla, Victor Coca

Eur J Med Chem· February 2026

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N-/Si-co-doped nanocrystalline diamonds as highly sensitive luminescent thermometers.
Mabel Rodríguez-Fernández, María Gragera, Iván Carrillo-Berdugo, Rodrigo Alcántara, Paulius Pobedinskas, David Zorrilla

Nanoscale· June 2025

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Corrigendum to "Effect of lathyrane-type diterpenoids in neural stem cell physiology: Microbial transformations, molecular docking and dynamics studies" [Bioorg. Chem. 153 (2024) 107769].
Felipe Escobar-Montaño, Ricardo Gómez-Oliva, Abdellah Ezzanad, Sonia Vázquez de Górgolas, David Zorrilla

Bioorg Chem· January 2025

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Effect of lathyrane-type diterpenoids in neural stem cell physiology: Microbial transformations, molecular docking and dynamics studies.
Felipe Escobar-Montaño, Ricardo Gómez-Oliva, Abdellah Ezzanad, Sonia Vázquez de Górgolas, David Zorrilla

Bioorg Chem· December 2024

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New Eremophilane-Type Sesquiterpenes from the Marine Sediment-Derived Fungus BC17 and Their Cytotoxic and Antimicrobial Activities.
Jorge R Virués-Segovia, Carlos Millán, Cristina Pinedo, Victoria E González-Rodríguez, Sokratis Papaspyrou, David Zorrilla

Mar Drugs· December 2023

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Structural and biosynthetic studies of botrycinereic acid, a new cryptic metabolite from the fungus Botrytis cinerea.
Ana A Pinto, Javier E Barúa, Marilia O Almeida, Muriel Viaud, David Zorrilla

Bioorg Chem· October 2022

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High incidence of stroke and mortality in pediatric critical care patients with COVID-19 in Peru.
Alvaro Coronado Munoz, Jaime Tasayco, Willy Morales, Luis Moreno, David Zorrilla

Pediatr Res· June 2022

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Property-oriented basis sets for computation of atomization energies.
Victor García, David Zorrilla, Manuel Fernández, Jesús Sánchez-Márquez

J Comput Chem· November 2021

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Bond reactivity indices approach analysis of the [2+2] cycloaddition of jatrophane skeleton diterpenoids from Euphorbia gaditana Coss to tetracyclic gaditanone.
M Eugenia Flores-Giubi, Jose Manuel Botubol-Ares, María J Durán-Peña, Felipe Escobar-Montaño, David Zorrilla

Phytochemistry· December 2020

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On Electronegativity, Hardness, and Reactivity Descriptors: A New Property-Oriented Basis Set.
Jesús Sánchez-Márquez, Victor García, David Zorrilla, Manuel Fernández

J Phys Chem A· June 2020

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Software to obtain spatially localized functions from different radial functions.
Jesús Sánchez-Márquez, Victor García, David Zorrilla, Manuel Fernández

J Comput Aided Mol Des· March 2020

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Introducing a new bond reactivity index: Philicities for natural bond orbitals.
Jesús Sánchez-Márquez, David Zorrilla, Víctor García, Manuel Fernández

J Mol Model· December 2017

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Gaditanone, a Diterpenoid Based on an Unprecedented Carbon Skeleton Isolated from Euphorbia gaditana.
M Eugenia Flores-Giubi, María J Durán-Peña, José M Botubol-Ares, Felipe Escobar-Montaño, David Zorrilla

J Nat Prod· July 2017

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Software to obtain accurate Gaussian expansions for a wide range of radial functions.
Victor García, David Zorrilla, Jesús Sánchez-Márquez, Manuel Fernández-Núñez

J Mol Model· May 2017

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Micro-Raman Spectroscopy for the Determination of Local Temperature Increases in TiO2 Thin Films due to the Effect of Radiation.
Juan Jesús Gallardo, Javier Navas, David Zorrilla, Rodrigo Alcántara, Diego Valor

Appl Spectrosc· July 2016

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DAMQT 2.1.0: A new version of the DAMQT package enabled with the topographical analysis of electron density and electrostatic potential in molecules.
Anmol Kumar, Sachin D Yeole, Shridhar R Gadre, Rafael López, Jaime F Rico, David Zorrilla

J Comput Chem· December 2015

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A Study of Overheating of Thermostatically Controlled TiO2 Thin Films by Using Raman Spectroscopy.
Juan Jesús Gallardo, Javier Navas, David Zorrilla, Rodrigo Alcántara, Diego Valor

Chemphyschem· December 2015

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Introducing "UCA-FUKUI" software: reactivity-index calculations.
Jesús Sánchez-Márquez, David Zorrilla, Antonio Sánchez-Coronilla, Desireé M de los Santos, Javier Navas

J Mol Model· November 2014

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Experimental and theoretical study of the electronic properties of Cu-doped anatase TiO2.
Javier Navas, Antonio Sánchez-Coronilla, Teresa Aguilar, Norge C Hernández, Desireé M de los Santos, David Zorrilla

Phys Chem Chem Phys· February 2014

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Ibuprofen loading in surfactant-templated silica: role of the solvent according to the polarizable continuum model.
Manuel Fernández-Núñez, David Zorrilla, Antonio Montes, Maria J Mosquera

J Phys Chem A· October 2009

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