Listar QUIO_Articles por autoría "3896fa5e-4aba-43cd-9e56-384501cb8e7b"
Mostrando ítems 1-20 de 29
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Advances in the Development of SARS-CoV-2 Mpro Inhibitors
Agost Beltrán, Laura; De la Hoz Rodríguez, Sergio; Bou Iserte, Lledó; Rodríguez, Santiago; Fernández de la Pradilla Ibáñez, Adrián; González, Florenci MDPI (2022-04-14)Since the outbreak of COVID-19, one of the strategies used to search for new drugs has been to find inhibitors of the main protease (Mpro) of the virus SARS-CoV-2. Initially, previously reported inhibitors of related ... -
Amidation through carbamates
Latorre, Antonio; Rodríguez, Santiago; Izquierdo Ferrer, Javier; González, Florenci Elsevier (2009)N-Alkyl carbamates of primary amines are easily converted into amides under treatment with Grignard reagents. Consequently, primary amines can be converted into amides in a one-pot reaction through carbamate protection and ... -
Antiprotozoal and cysteine proteases inhibitory activity of dipeptidyl enoates
Royo, Santiago; Schirmeister, Tanja; Kaiser, Marcel; Jung, Sascha; Rodríguez, Santiago; Bautista, José Manuel; González, Florenci Elsevier (2018-09-01)A family of dipeptidyl enoates has been prepared and tested against the parasitic cysteine proteases rhodesain, cruzain and falcipain-2 related to sleeping sickness, Chagas disease and malaria, respectively. They have also ... -
Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes–7
Gütschow, Michael; Vanden Eynde, Jean Jacques; Jampilek, Josef; Kang, Congbao; Mangoni, Arduino Aleksander; Fossa, Paola; Karaman, Rafik; Trabocchi, Andrea; Scott, Peter; Reynisson, Johannes; Rapposelli, Simona; Galdiero, Stefania; Winum, Jean-Yves; Brullo, Chiara; Prokai-Tatrai, Katalin; Sharma, Arun K.; Schapira, Matthieu; Azuma, Yasu-Taka; Cerchia, Laura; Spetea, Mariana; Torri, Giangiacomo; Collina, Simona; Geronikaki, Athina; García-Sosa, Alfonso T.; Vasconcelos, M. Helena; Sousa, Maria Emília; Kosalec, Ivan; Tuccinardi, Tiziano; Duarte, Iola; Salvador, Jorge A. R.; Bertinaria, Massimo; Pellecchia, Maurizio; Amato, Jussara; Rastelli, Giulio; Gomes, Paula A. C.; Guedes, Rita; Sabatier, Jean-Marc; Estevez-Braun, Ana; Pagano, Bruno; Mangani, Stefano; Ragno, Rino; Kokotos, George; Brindisi, Margherita; González, Florenci; Borges, Fernanda; Miloso, Mariarosaria; Rautio, Jarkko; Muñoz-Torrero, Diego MDPI (2020)Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes is a series of editorials which is published on a biannual basis by the Editorial Board of the Medicinal Chemistry section of the journal ... -
Catalytic enantioselective epoxidation of nitroalkenes
Vidal-Albalat, Andreu; Świderek, Katarzyna; Izquierdo Ferrer, Javier; Rodríguez, Santiago; Moliner, Vicent; González, Florenci Royal Society of Chemistry (2016)Nitroepoxides are potentially exploitable as synthons with vicinal electrophilic centers. Nevertheless, although advances have been made in the field, enantioselective epoxidation of nitroalkenes is still a challenging ... -
Design, Synthesis and Evaluation of Fluorescent Analogues of Abscisic Acid
González, Florenci; Bou Iserte, Lledó; Miguel-López, Borja; De la Hoz Rodríguez, Sergio; Kersten, Christian; Sánchez-Sarasúa, Sandra; Espinosa-Fernández, Verónica; Sánchez-Pérez, Ana María Wiley (2020-07-13)A fluorescent analogue of abscisic acid has been prepared by combining (S)‐abscisic acid (ABA) with nitrobenzoxadiazole (NBD) fluorophore using ethanol amine as a linker. Isomerization of the double bond at the side chain ... -
Dipeptidyl Enoates As Potent Rhodesain Inhibitors That Display a Dual Mode of Action
Royo Calvo, Santiago; Rodríguez, Santiago; Schirmeister, Tanja; Kesselring, Jochen; Kaiser, Marcel; González, Florenci Wiley (2015-07-14)Dipeptidyl enoates were prepared through a high-yielding two-step synthetic route. They have a dipeptidic structure with a 4-oxoenoate moiety as a warhead with multiple reactive sites. Dipeptidyl enoates were screened ... -
Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain
Latorre, Antonio; Schirmeister, Tanja; Kesselring, Jochen; Jung, Sascha; Johé, Patrick; Hellmich, Ute A.; Heilos, Anna; Engels, Bernd; Krauth-Siegel, R. Luise; Dirdjaja, Natalie; Bou Iserte, Lledó; Rodríguez, Santiago; González, Florenci American Chemical Society (2016)Dipeptidyl nitroalkenes are potent reversible inhibitors of cysteine proteases. Inhibitor 11 resulted to be the most potent one with Ki values of 0.49 and 0.44 nM against rhodesain and cruzain, respectively. According to ... -
Dynamic Kinetic Asymmetric Ring-Opening/Reductive Amination Sequence of Racemic Nitroepoxides with Chiral Amines: Enantioselective Synthesis of Chiral Vicinal Diamines
Agut Gregori, Juan; Vidal-Albalat, Andreu; Rodríguez, Santiago; González, Florenci American Chemical Society (2013-05)We report a highly diastereoselective synthesis of vicinal diamines by the treatment of nitroepoxides with primary amines and then a reducing agent. When using a chiral primary amine, racemic nitroepoxides are transformed ... -
Elucidating the Dual Mode of Action of Dipeptidyl Enoates in the Inhibition of Rhodesain Cysteine Proteases
Arafet Cruz, Kemel; González, Florenci; Moliner, Vicent Wiley (2021-04-14)A computational study of the two possible inhibition mechanisms of rhodesain cysteine protease by the dipeptidyl enoate Cbz-Phe-Leu-CH=CH−CO2C2H5 has been carried out by means of molecular dynamics simulations with hybrid ... -
Fast methodology for the reliable determination of nonylphenol in water samples by minimal labeling isotope dilution mass spectrometry
Fabregat-Cabello, Neus; Castillo Tirado, Ángel; Sancho, Juan V; González, Florenci; Roig-Navarro, Antoni F. Elsevier (2013-08)In this work we have developed and validated an accurate and fast methodology for the determination of 4-nonylphenol (technical mixture) in complex matrix water samples by UHPLC–ESI-MS/MS. The procedure is based on isotope ... -
Formal [3+2] Cycloaddition Reactions of Electron-Rich Aryl Epoxides with Alkenes under Lewis Acid Catalysis Affording Tetrasubstituted Tetrahydrofurans
Macías-Villamizar, Víctor; Cuca-Suárez, Luís; Rodríguez, Santiago; González, Florenci MDPI (2020)We report on the regio- and stereoselective synthesis of tetrahydrofurans by reaction between epoxides and alkenes in the presence of a Lewis acid. This is an unprecedented formal [3+2] cycloaddition reaction between an ... -
Highly stereoselective epoxidation of O-protected 3-hydroxy-1-nitroalkenes
Jain, Amit; Rodríguez, Santiago; López Martín, Irakusne; González, Florenci Elsevier (2009)[No abstract available] -
Impact of the Recognition Part of Dipeptidyl Nitroalkene Compounds on the Inhibition Mechanism of Cysteine Proteases Cruzain and Cathepsin L
Arafet Cruz, Kemel; Royo, Santiago; Schirmeister, Tanja; Barthels, Fabian; González, Florenci; Moliner, Vicent American Chemical Society (2023-05-05)Cysteine proteases (CPs) are an important class of enzymes, many of which are responsible for several human diseases. For instance, cruzain of protozoan parasite Trypanosoma cruzi is responsible for the Chagas disease, ... -
Impact of the Warhead of Dipeptidyl Keto Michael Acceptors on the Inhibition Mechanism of Cysteine Protease Cathepsin L
Fernández de la Pradilla Ibáñez, Adrián; Royo, Santiago; Schirmeister, Tanja; Barthels, Fabian; Świderek, Katarzyna; González, Florenci; Moliner, Vicent American Chemical Society (2023-10-03)Cathepsin L (CatL) is a lysosomal cysteine protease whose activity has been related to several human pathologies. However, although preclinical trials using CatL inhibitors were promising, clinical trials have been ... -
Influence of the gas atmosphere on the deprotection of (Z)-γ -hydroxy- α , β-unsaturated esters
López Martín, Irakusne; Rodríguez, Santiago; Izquierdo Ferrer, Javier; González, Florenci; Vicent Barrera, Cristian Bentham Science Publishers (2009)The deprotection of O-protected (Z)-α-methyl-γ-hydroxy-α,β-unsaturated ester 1 furnishes dimer 2 when the reaction is performed under a nitrogen atmosphere, while compound 3 forms when the reaction is performed under an ... -
Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors—A Comprehensive Reactivity and Selectivity Study
Müller, Patrick; Meta, Mergim; Meidner, Jan Laurenz; Schwickert, Marvin; Meyr, Jessica; Schwickert, Dr. Kevin; Kersten, Christian; Zimmer, Collin; Hammerschmidt, Stefan Josef; Frey, Ariane; Lahu, Albin; De la Hoz Rodríguez, Sergio; Agost Beltrán, Laura; Rodríguez, Santiago; Diemer, Kira; Neumann, Wilhelm; González, Florenci; Engels, Bernd; Schirmeister, Tanja MDPI (2023-04-13): Covalent peptidomimetic protease inhibitors have gained a lot of attention in drug development in recent years. They are designed to covalently bind the catalytically active amino acids through electrophilic groups ... -
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); ... -
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 Rodríguez, 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. ...