Having caused a great socioeconomical impact worldwide, SARS CoV-2, is still a concerning public health issue. Despite benefits obtained with vaccination campaigns, SARS-CoV-2 has been still mutating for potential immune escape pathways. Among viral targets, the main protease (Mpro) is a strong candidate due to various reasons: (1) the pivotal role of Mpro in the proteolytic cleavage of viral proteins, (2) the absence of human homolog of this protein, (3) high conservation among Coronaviruses, particularly in those domains crucial for its enzymatic activity – a potential for broad-spectrum activity. One SARS-CoV-2 Mpro inhibitor has been approved so far by the FDA, namely Nirmatrelvir, but this drug has major problems.
UNVEILING OF PHARMACOPHORE MODELLING FOR NITROGEN-ENRICHED MPRO INHIBITORS OF SARS-COV-2 / Arpacioglu, Merve; Ruggieri, Giuseppe; Cara, Emanuele; Zarbo, Laura; Madia, Valentina Noemi; Ialongo, Davide; Albano, Aurora; Patacchini, Elisa; Saccoliti, Francesco; Messore, Antonella; Malune, Paolo; Nieddu, Salvatore; Esposito, Francesca; Tramontano, Enzo; Costi, Roberta; Di Santo, Roberto. - (2025). (Intervento presentato al convegno XXIX National Meeting on Medicinal Chemistry tenutosi a Parma).
UNVEILING OF PHARMACOPHORE MODELLING FOR NITROGEN-ENRICHED MPRO INHIBITORS OF SARS-COV-2
Merve Arpacioglu;Emanuele Cara;Laura Zarbo;Valentina Noemi Madia;Davide Ialongo;Aurora Albano;Elisa Patacchini;Francesco Saccoliti;Antonella Messore;Salvatore Nieddu;Roberta Costi;Roberto Di Santo
2025
Abstract
Having caused a great socioeconomical impact worldwide, SARS CoV-2, is still a concerning public health issue. Despite benefits obtained with vaccination campaigns, SARS-CoV-2 has been still mutating for potential immune escape pathways. Among viral targets, the main protease (Mpro) is a strong candidate due to various reasons: (1) the pivotal role of Mpro in the proteolytic cleavage of viral proteins, (2) the absence of human homolog of this protein, (3) high conservation among Coronaviruses, particularly in those domains crucial for its enzymatic activity – a potential for broad-spectrum activity. One SARS-CoV-2 Mpro inhibitor has been approved so far by the FDA, namely Nirmatrelvir, but this drug has major problems.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
