Listar por tema "inhibitors"
Mostrando ítems 1-9 de 9
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Advances in the Development of SARS-CoV-2 Mpro Inhibitors
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 ... -
Antiprotozoal and cysteine proteases inhibitory activity of dipeptidyl enoates
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 ... -
Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog
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 ... -
Computational Study of the Inhibition of RgpB Gingipain, a Promising Target for the Treatment of Alzheimer’s Disease
American Chemical Society (2023-01-17)Alzheimer’s disease represents one of the most ambitious challenges for biomedical sciences due to the growing number of cases worldwide in the elderly population and the lack of efficient treatments. One of the recent ... -
Dipeptidyl Enoates As Potent Rhodesain Inhibitors That Display a Dual Mode of Action
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
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 ... -
Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents
American Chemical Society (2023-02-10)Targeted covalent inhibitors hold promise for drug discovery, particularly for kinases. Targeting the catalytic lysine of epidermal growth factor receptor (EGFR) has attracted attention as a new strategy to overcome ... -
Quantum Mechanics/Molecular Mechanics Studies of the Mechanism of Cysteine Proteases Inhibition by Dipeptidyl Nitroalkenes
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 ... -
Synthesis of a New Proteasome Inhibitor Displaying an α-Keto β-Epoxyester Warhead
Universitat Jaume I (2017)In this work, the design and synthesis of a new proteasome inhibitor warhead has been accomplished. Chemical structure of the inhibitor displays three fragments: an α-keto β- epoxyester moiety as a warhead, a dipeptidyl ...