Targeting SARS-CoV-2 main protease for treatment of COVID-19: covalent inhibitors structure–activity relationship insights and evolution perspectives
The viral main protease is one of the most attractive targets among all key enzymes involved
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …
in the SARS-CoV-2 life cycle. Covalent inhibition of the cysteine145 of SARS-CoV-2 MPRO …
Advances in the development of SARS-CoV-2 Mpro inhibitors
L Agost-Beltrán, S de la Hoz-Rodríguez, L Bou-Iserte… - Molecules, 2022 - mdpi.com
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 …
been to find inhibitors of the main protease (Mpro) of the virus SARS-CoV-2. Initially …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Diphenyl Diselenide and SARS-CoV-2: in silico Exploration of the Mechanisms of Inhibition of Main Protease (Mpro) and Papain-like Protease (PLpro)
FB Omage, A Madabeni, AR Tucci… - Journal of Chemical …, 2023 - ACS Publications
The SARS-CoV-2 pandemic has prompted global efforts to develop therapeutics. The main
protease of SARS-CoV-2 (Mpro) and the papain-like protease (PLpro) are essential for viral …
protease of SARS-CoV-2 (Mpro) and the papain-like protease (PLpro) are essential for viral …
SARS-CoV-2 Mpro Inhibitors: Achieved Diversity, Developing Resistance and Future Strategies
C Fischer, JR Feys - Future Pharmacology, 2023 - mdpi.com
While the COVID-19 pandemic seems to be on its decline, the unclear impacts of long-
COVID cases, breakthrough infections in immunocompromised individuals, vaccine …
COVID cases, breakthrough infections in immunocompromised individuals, vaccine …
Selenium-catalyzed reduction of hydroperoxides in chemistry and biology
L Orian, L Flohé - Antioxidants, 2021 - mdpi.com
Among the chalcogens, selenium is the key element for catalyzed H2O2 reduction. In
organic synthesis, catalytic amounts of organo mono-and di-selenides are largely used in …
organic synthesis, catalytic amounts of organo mono-and di-selenides are largely used in …
Organic selenocompounds: are they the panacea for human illnesses?
The selenium element is essential to some life forms and its biological-chemistry function is
mainly performed by the selenol/selenolate moiety (–SeH/–Se–) in a few selenoproteins …
mainly performed by the selenol/selenolate moiety (–SeH/–Se–) in a few selenoproteins …
In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation …
NK Nkungli, ADT Fouegue, SN Tasheh, FK Bine… - Molecular Diversity, 2024 - Springer
The emergence of artemisinin-resistant variants of Plasmodium falciparum necessitates the
urgent search for novel antimalarial drugs. In this regard, an in silico study to screen …
urgent search for novel antimalarial drugs. In this regard, an in silico study to screen …
Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2
The main protease (M pro) of the novel coronavirus SARS-CoV-2 is a key target for
developing antiviral drugs. Ebselen (EbSe) is a selenium-containing compound that has …
developing antiviral drugs. Ebselen (EbSe) is a selenium-containing compound that has …
Reactivity and binding mode of disulfiram, its metabolites, and derivatives in SARS-CoV-2 PLpro: insights from computational chemistry studies
The papain-like protease (PLpro) from SARS-CoV-2 is an important target for the
development of antivirals against COVID-19. The safe drug disulfiram (DSF) presents …
development of antivirals against COVID-19. The safe drug disulfiram (DSF) presents …