ListarDepartament: Química Física i Analítica por tema "inhibitors"

Mostrando ítems 1-3 de 3

    • 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 ...

    • openAccess   Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog 

      Kholodar, Svetlana; Finer-Moore, Janet; Świderek, Katarzyna; Arafet Cruz, Kemel; Moliner, Vicent; Stroud, Robert M.; Kohen, Amnon American Chemical Society (2021-04-08)
      Methylation of 2-deoxyuridine-5′-monophosphate (dUMP) at the C5 position by the obligate dimeric thymidylate synthase (TSase) in the sole de novo biosynthetic pathway to thymidine 5′-monophosphate (dTMP) proceeds by forming ...

    • 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 ...