Listar por autoría "711a2b25-d389-4e87-8b74-b4259e3712de"
Mostrando ítems 21-34 de 34
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Lignoids Isolated from Nectandra turbacensis (Kunth) Nees (Lauraceae)
Macías-Villamizar, Víctor; Cuca-Suárez, Luís; González, Florenci; Rodríguez, Santiago Academy of Chemistry of Globe Publications (2016)A new 7,8-secolignan, as well as seven known compounds; were isolated from Nectandra turbacensis (Kunth) Nees (Lauraceae) (leaves and root bark). These compounds were identified as, one secolignan, turbacenlignan A (1); ... -
Mechanism of inhibition of SARS-CoV-2 Mpro by N3 peptidyl Michael acceptor explained by QM/MM simulations and design of new derivatives with tunable chemical reactivity
Arafet Cruz, Kemel; Serrano Aparicio, Natalia; Lodola, Alessio; Mulholland, Adrian J.; González, Florenci; Świderek, Katarzyna; Moliner, Vicent Royal Society of Chemistry (2021)The SARS-CoV-2 main protease (Mpro) is essential for replication of the virus responsible for the COVID-19 pandemic, and one of the main targets for drug design. Here, we simulate the inhibition process of SARS-CoV-2 Mpro ... -
Nitroepoxides as versatile precursors to 1,4-diamino heterocycles
Vidal-Albalat, Andreu; Rodríguez, Santiago; González, Florenci American Chemical Society (2014)Nitroepoxides are easily transformed into 1,4- diamino heterocycles such as quinoxalines and pyrazines by treatment with 1,2-benzenediamines and ammonia, respectively. Additionally, related saturated heterocycles, such ... -
Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2
Medrano Martin, Francisco Javier; de la hoz rodriguez, Sergio; Martí, Sergio; Arafet Cruz, Kemel; Schirmeister, Tanja; Hammerschmidt, Stefan Josef; Müller-Ruttloff, Christin; González-Martínez, Águeda; Santillana Heras, Elena; Ziebuhr, John; Romero Garrido, Antonio; Zimmer, Collin; Weldert, Annabelle Carolin; Zimmermann, Robert; Lodola, Alessio; Świderek, Katarzyna; Moliner, Vicent; González, Florenci Springer Nature (2024-01-18)The coronavirus disease 2019 (COVID-19) pandemic continues to represent a global public health issue. The viral main protease (Mpro) represents one of the most attractive targets for the development of antiviral drugs. ... -
Quantum mechanics/molecular mechanics studies of the mechanism of cysteine protease inhibition by peptidyl-2,3-epoxyketones
Arafet Cruz, Kemel; Ferrer Castillo, Silvia; González, Florenci; Moliner, Vicent Royal Society of Chemistry (2017)Cysteine proteases are the most abundant proteases in parasitic protozoa and they are essential enzymes to the life cycle of several of them, thus becoming attractive therapeutic targets for the development of new ... -
Quantum Mechanics/Molecular Mechanics Studies of the Mechanism of Cysteine Proteases Inhibition by Dipeptidyl Nitroalkenes
Arafet Cruz, Kemel; González, Florenci; Moliner, Vicent Wiley (2020-02-11)In this work a computational study of the mechanism of inhibition of cruzain, rhodesain, and cathepsin L cysteine proteases by the dipeptidyl nitroalkene Cbz‐Phe‐Ala‐CH=CH‐NO2 has been carried out by means of molecular ... -
Radical Mechanism in the Elimination of 2-Arylsulfinyl Esters
Latorre, Antonio; López Martín, Irakusne; Ramírez, Victoria; Rodríguez, Santiago; Izquierdo Ferrer, Javier; González, Florenci; Vicent Barrera, Cristian American Chemical Society (2012-05)The mechanism of the dehydrosulfenylation of 2-arylsulfinyl esters was investigated. The reaction was found to follow a homolytic cleavage mechanism as verified by electrospray ionization tandem mass spectrometry and ... -
Regioselective Opening of Nitroepoxides with Unsymmetrical Diamines
Nosood, Yazdanbakhsh L.; Halimehjani, Azim Ziyaei; González, Florenci American Chemical Society (2018-01)Nitroepoxides are easily transformed into benzodiazepines, tetrahydrobenzodiazepines, imidazopyridines, and N-alkyl tetrahydroquinoxalines by treatment with 2-aminobenzylamines, 2-aminopyridines, and N-alkyl 1,2-diaminobenzenes, ... -
Regioselective ring opening and isomerization reactions of 3,4-epoxyesters catalyzed by boron trifluoride
Rodríguez, Santiago; González, Florenci; Izquierdo Ferrer, Javier American Chemical Society (2011)Efficient ring opening of 3,4-epoxyesters with alcohols to produce 4-alkoxy-3-hydroxyesters and their isomerization into 4-ketoesters using boron trifluoride as the catalyst are presented. Both transformations are simple ... -
Stereoisomerization of α-hydroxy-β-sulfenyl-α,β-dimethyl naphthoquinones controlled by nonbonded sulfur–oxygen interactions
Latorre, Antonio; Rodríguez, Santiago; Jain, Amit; González, Florenci; Mata Martínez, Jose A Elsevier (2013-03)The anti α-hydroxy-β-sulfenyl-α,β-dimethyl naphthoquinones isomerize in basic media into syn/anti mixtures of isomers, giving the syn isomer as the major product. Conversely, anti α-hydroxy-β-alkoxy-α,β-dimethyl naphthoquinones ... -
Stereoisomerization of β-Hydroxy-α-sulfenyl-γ-butyrolactones Controlled by Two Concomitant 1,4-Type Nonbonded Sulfur−Oxygen Interactions As Analyzed by X-ray Crystallography
González, Florenci; Jain, Amit; Rodríguez, Santiago; Sáez, José A.; Vicent Barrera, Cristian; Peris, Gabriel American Chemical Society (2010)We have synthesized nine β-hydroxy-α-sulfenyl-γ-butyrolactones having different substituents. The syn-anti or syn-syn lactones (or any mixture of both) invariably isomerized into syn-anti/syn-syn lactones in a ratio of ... -
Study of the Stereoselectivity of the Nucleophilic Epoxidation of 3-Hydroxy-2- methylene Esters
Latorre, Antonio; Sáez Cases, José Antonio; Rodríguez, Santiago; González, Florenci Elsevier (2013-01)The diastereoselectivity of the nucleophilic epoxidation of 3-hydroxy-2-methylene esters has been studied. The 3-hydroxy-2-methylene esters were obtained through a Morita–Baylis–Hillman reaction. The resulting epoxyesters ... -
Synthetic studies on the preparation of alanyl epoxysulfones as cathepsin cysteine protease electrophilic traps
Latorre, Antonio; Rodríguez, Santiago; González, Florenci; Florea, Bogdan I.; Overkleeft, Herman S. American Chemical Society (2015-07)A Darzens reaction between tert-butoxycarbonyl alaninal and chloromethyl phenyl sulfone afforded chlorohydrins, which were converted into epoxysulfones by reaction with sodium tert-butoxide. Epoxysulfone 10 and chloroketone ... -
Three-Step Telescoped Synthesis of Monosubstituted Vicinal Diamines from Aldehydes
Bou Iserte, Lledó; Latorre, Antonio; Rodríguez, Santiago; González, Florenci (2019)Aldehydes are easily transformed into vicinal diamines and piperazines through a one-pot procedure including a Darzens reaction and treatment with an amine or diamine and then with a reducing agent. Additionally, quinoxalines ...