ListarQUIO_Articles por tema "inhibitors"

Mostrando ítems 1-5 de 5

    • openAccess   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 ...

    • closedAccess   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 ...

    • closedAccess   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 ...

    • closedAccess   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 ...

    • closedAccess   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 ...