ArticleMolecules (Basel, Switzerland)2026
Structure-Activity Relationships of Pyrrolyl-Containing Diketo Acid and Non-Diketo Acid Derivatives as Inhibitors of SARS-CoV-2 nsp13-Associated Activities.
Elisa Patacchini, Francesco Saccoliti, Roberta Emmolo, Valentina Noemi Madia, Emanuele Cara, Aurora Albano, Angela Corona, Enzo Tramontano, Roberto Di Santo, Roberta Costi
Abstract read
In one paragraphArticle in Molecules (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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5 · Who and what moneyAuthors and funding
10 authors.
Elisa PatacchiniDipartimento di Chimica e Tecnologie del Farmaco, Istituto Pasteur-Fondazione Cenci Bolognetti, "Sapienza" Università di Roma, p.le Aldo Moro 5, 00185 Rome, Italy.ORCID 0000-0002-4531-3612 Francesco SaccolitiDepartment of Life Sciences, Health and Health Professions, Link Campus University, Via del Casale di San Pio V 44, 00165 Rome, Italy.ORCID 0000-0002-2907-5503 Roberta EmmoloLaboratorio di Virologia Molecolare, Dipartimento di Scienze della Vita e dell'Ambiente Sezione Biomedica, Università di Cagliari, Cittadella Universitaria di Monserrato, SS554, 09042 Monserrato, Italy.ORCID 0009-0009-4546-6449 Valentina Noemi MadiaDepartment of Science, Università degli Studi Roma Tre, Viale Guglielmo Marconi 446, 00146 Rome, Italy.ORCID 0000-0002-5724-612X Emanuele CaraDipartimento di Chimica e Tecnologie del Farmaco, Istituto Pasteur-Fondazione Cenci Bolognetti, "Sapienza" Università di Roma, p.le Aldo Moro 5, 00185 Rome, Italy.ORCID 0009-0008-7723-2201 Aurora AlbanoDipartimento di Chimica e Tecnologie del Farmaco, Istituto Pasteur-Fondazione Cenci Bolognetti, "Sapienza" Università di Roma, p.le Aldo Moro 5, 00185 Rome, Italy.ORCID 0009-0008-6850-528X Angela CoronaLaboratorio di Virologia Molecolare, Dipartimento di Scienze della Vita e dell'Ambiente Sezione Biomedica, Università di Cagliari, Cittadella Universitaria di Monserrato, SS554, 09042 Monserrato, Italy.ORCID 0000-0002-6630-8636 Enzo TramontanoLaboratorio di Virologia Molecolare, Dipartimento di Scienze della Vita e dell'Ambiente Sezione Biomedica, Università di Cagliari, Cittadella Universitaria di Monserrato, SS554, 09042 Monserrato, Italy.ORCID 0000-0002-4849-0980 Roberto Di SantoDipartimento di Chimica e Tecnologie del Farmaco, Istituto Pasteur-Fondazione Cenci Bolognetti, "Sapienza" Università di Roma, p.le Aldo Moro 5, 00185 Rome, Italy.ORCID 0000-0002-4279-7666 Roberta CostiDipartimento di Chimica e Tecnologie del Farmaco, Istituto Pasteur-Fondazione Cenci Bolognetti, "Sapienza" Università di Roma, p.le Aldo Moro 5, 00185 Rome, Italy.
Funding
Ministero dell'università e della ricerca 20228NPP2YMinistero dell'università e della ricerca PE00000007, INF-ACT, Spoke 5Sapienza University of Rome RG124190BB0EB5C9
6 · The paper itselfAbstract
The SARS-CoV-2 pandemic has posed a tremendous burden globally, highlighting the urgent need for new effective antivirals that are possibly useful against future emerging Coronaviruses (hCoVs). In this context, major efforts were focused on the inhibition of highly conserved and essential targets playing a pivotal role in viral replication. Among them, SARS-CoV-2 nsp13 stands out, being the most conserved enzyme within hCoVs. Following our previous reports describing the identification of indole-based diketo acid (DKA) derivatives as SARS-CoV-2 nsp13 inhibitors endowed with antiviral activity, we applied a scaffold hopping strategy to identify new nsp13 inhibitors. Therefore, we investigated a series of 4-phenyl pyrrolyl DKAs and their structural analogs characterized by molecular simplification or DKA isosteric replacement. The derivatives showed potency against both nsp13-associated activities exhibiting measurable IC
Indexed as
Antiviral AgentsBetacoronavirusKeto AcidsSARS-CoV-2Viral Nonstructural ProteinsHumansMolecular Docking SimulationStructure-Activity RelationshipVirus ReplicationAntiviral AgentsKeto AcidsViral Nonstructural ProteinsATPase inhibitiondiketo aciddrug discoverynsp13SARS-CoV-2 inhibitionstructure–activity relationshipunwinding inhibition
Identifiers
PMID42451743
PMCPMC13363528
What OpenQuestion holds
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LicenceCC BY
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