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Article ; Online: Fluorine Atoms on C

Chaves, Otávio Augusto / Rodrigues-Santos, Cláudio Eduardo / Echevarria, Áurea / Sacramento, Carolina Q / Fintelman-Rodrigues, Natalia / Temerozo, Jairo R / Castro-Faria-Neto, Hugo Caire / Souza, Thiago Moreno Lopes E

International journal of molecular sciences

2022 Volume 23, Issue 18

Abstract: The chymotrypsin-like cysteine protease ( ... ...

Abstract	The chymotrypsin-like cysteine protease (3CL
MeSH term(s)	Antiviral Agents/pharmacology ; COVID-19/drug therapy ; Carbon ; Chymotrypsin ; Coronavirus 3C Proteases ; Fluorine ; Humans ; Molecular Docking Simulation ; Papain ; Peptide Hydrolases ; Porphyrins/pharmacology ; Protease Inhibitors/chemistry ; Protease Inhibitors/pharmacology ; Quantitative Structure-Activity Relationship ; SARS-CoV-2
Chemical Substances	Antiviral Agents ; Porphyrins ; Protease Inhibitors ; corrole ; Fluorine (284SYP0193) ; Carbon (7440-44-0) ; Peptide Hydrolases (EC 3.4.-) ; Chymotrypsin (EC 3.4.21.1) ; Papain (EC 3.4.22.2) ; Coronavirus 3C Proteases (EC 3.4.22.28)
Language	English
Publishing date	2022-09-19
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	2019364-6
ISSN	1422-0067 ; 1422-0067 ; 1661-6596
ISSN (online)	1422-0067
ISSN	1422-0067 ; 1661-6596
DOI	10.3390/ijms231810936
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Article ; Online: Apixaban, an orally available anticoagulant, inhibits SARS-CoV-2 replication and its major protease in a non-competitive way.

Chaves, Otávio Augusto / Sacramento, Carolina Q / Fintelman-Rodrigues, Natalia / Temerozo, Jairo Ramos / Pereira-Dutra, Filipe / Mizurini, Daniella M / Monteiro, Robson Q / Vazquez, Leonardo / Bozza, Patricia T / Castro-Faria-Neto, Hugo Caire / Souza, Thiago Moreno L

Journal of molecular cell biology

2022 Volume 14, Issue 6

MeSH term(s)	Anticoagulants/pharmacology ; Anticoagulants/therapeutic use ; Humans ; Peptide Hydrolases ; Pyrazoles ; Pyridones ; SARS-CoV-2 ; COVID-19 Drug Treatment
Chemical Substances	Anticoagulants ; Pyrazoles ; Pyridones ; apixaban (3Z9Y7UWC1J) ; Peptide Hydrolases (EC 3.4.-)
Language	English
Publishing date	2022-06-22
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2500949-7
ISSN	1759-4685 ; 1674-2788
ISSN (online)	1759-4685
ISSN	1674-2788
DOI	10.1093/jmcb/mjac039
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Article ; Online: Inhibition of the SREBP pathway prevents SARS-CoV-2 replication and inflammasome activation.

Soares, Vinicius Cardoso / Dias, Suelen Silva Gomes / Santos, Julia Cunha / Azevedo-Quintanilha, Isaclaudia G / Moreira, Isabela Batista Gonçalves / Sacramento, Carolina Q / Fintelman-Rodrigues, Natalia / Temerozo, Jairo R / da Silva, Marcos Alexandre Nunes / Barreto-Vieira, Debora Ferreira / Souza, Thiago Ml / Bozza, Patricia T

Life science alliance

2023 Volume 6, Issue 11

Abstract: SARS-CoV-2 induces major cellular lipid rearrangements, exploiting the host's metabolic pathways to replicate. Sterol regulatory element binding proteins (SREBPs) are a family of transcription factors that control lipid metabolism. SREBP1 is associated ... ...

Abstract	SARS-CoV-2 induces major cellular lipid rearrangements, exploiting the host's metabolic pathways to replicate. Sterol regulatory element binding proteins (SREBPs) are a family of transcription factors that control lipid metabolism. SREBP1 is associated with the regulation of fatty acids, whereas SREBP2 controls cholesterol metabolism, and both isoforms are associated with lipid droplet (LD) biogenesis. Here, we evaluated the effect of SREBP in a SARS-CoV-2-infected lung epithelial cell line (Calu-3). We showed that SARS-CoV-2 infection induced the activation of SREBP1 and SREBP2 and LD accumulation. Genetic knockdown of both SREBPs and pharmacological inhibition with the dual SREBP activation inhibitor fatostatin promote the inhibition of SARS-CoV-2 replication, cell death, and LD formation in Calu-3 cells. In addition, we demonstrated that SARS-CoV-2 induced inflammasome-dependent cell death by pyroptosis and release of IL-1β and IL-18, with activation of caspase-1, cleavage of gasdermin D1, was also reduced by SREBP inhibition. Collectively, our findings help to elucidate that SREBPs are crucial host factors required for viral replication and pathogenesis. These results indicate that SREBP is a host target for the development of antiviral strategies.
MeSH term(s)	Humans ; Inflammasomes ; SARS-CoV-2 ; Sterol Regulatory Element Binding Protein 1 ; COVID-19 ; Lipid Metabolism
Chemical Substances	Inflammasomes ; Sterol Regulatory Element Binding Protein 1
Language	English
Publishing date	2023-09-05
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ISSN	2575-1077
ISSN (online)	2575-1077
DOI	10.26508/lsa.202302049
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Article ; Online: Influenza virus RNA polymerase may be activated inside the virion.

Sacramento, Carolina Q / Fintelman-Rodrigues, Natalia / Miranda, Milene / Siqueira, Marilda M / Souza, Thiago Moreno L

The Journal of general virology

2018 Volume 99, Issue 12, Page(s) 1608–1613

Abstract: Influenza A and B virions are packaged with their polymerases to catalyse RNA-dependent RNA polymerase activity. Since there is no evidence to rule in or out the permissiveness of influenza virions to triphosphate ribonucleotides, we functionally ... ...

Abstract	Influenza A and B virions are packaged with their polymerases to catalyse RNA-dependent RNA polymerase activity. Since there is no evidence to rule in or out the permissiveness of influenza virions to triphosphate ribonucleotides, we functionally evaluated this. We found the means to stimulate influenza A and B RNA polymerase activity inside the virion, called natural endogenous RNA polymerase (NERP) activity. Stimulation of NERP activity increased up to 3 log10 viral RNA content, allowing the detection of influenza virus in otherwise undetectable clinical samples. NERP activation also improved our capacity to sequence misidentified regions of the influenza genome from clinical samples. By treating the samples with the ribavirin triphosphate we inhibited NERP activity, which confirms our hypothesis and highlights that this assay could be used to screen antiviral drugs. Altogether, our data show that NERP activity could be explored to increase molecular diagnostic sensitivity and/or to develop antiviral screening assays.
MeSH term(s)	Antiviral Agents/metabolism ; DNA-Directed RNA Polymerases/analysis ; Enzyme Inhibitors/metabolism ; Influenza A virus/enzymology ; Influenza B virus/enzymology ; RNA, Viral/biosynthesis ; Ribavirin/metabolism ; Ribonucleotides/metabolism ; Virion/enzymology ; Virus Assembly
Chemical Substances	Antiviral Agents ; Enzyme Inhibitors ; RNA, Viral ; Ribonucleotides ; Ribavirin (49717AWG6K) ; DNA-Directed RNA Polymerases (EC 2.7.7.6)
Language	English
Publishing date	2018-11-05
Publishing country	England
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	219316-4
ISSN	1465-2099 ; 0022-1317
ISSN (online)	1465-2099
ISSN	0022-1317
DOI	10.1099/jgv.0.001168
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Article ; Online: Unveiling the Antiviral Capabilities of Targeting Human Dihydroorotate Dehydrogenase against SARS-CoV-2.

Purificação, Aline D / Silva-Mendonça, Sabrina / Cruz, Luiza V / Sacramento, Carolina Q / Temerozo, Jairo R / Fintelman-Rodrigues, Natalia / de Freitas, Caroline Souza / Godoi, Bruna Fleck / Vaidergorn, Miguel Menezes / Leite, Juliana Almeida / Salazar Alvarez, Luis Carlos / Freitas, Murillo V / Silvac, Meryck F B / Martin, Bianca A / Lopez, Renata F V / Neves, Bruno J / Costa, Fabio T M / Souza, Thiago M L / da Silva Emery, Flavio /

Andrade, Carolina Horta / Nonato, M Cristina

ACS omega

2024 Volume 9, Issue 10, Page(s) 11418–11430

Abstract: The urgent need for effective treatments against emerging viral diseases, driven by drug-resistant strains and new viral variants, remains critical. We focus on inhibiting the human dihydroorotate dehydrogenase ( ...

Abstract	The urgent need for effective treatments against emerging viral diseases, driven by drug-resistant strains and new viral variants, remains critical. We focus on inhibiting the human dihydroorotate dehydrogenase (
Language	English
Publishing date	2024-02-28
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.3c07845
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Article ; Online: Bioassay-Guided Fractionation of

Leal, Carla Monteiro / Leitão, Suzana Guimarães / de Mello, Leonardo Luiz Oliveira / Rangel, Isabel de Castro / da Silva, Carlos Vinicius Azevedo / Miranda, Milene Dias / Tucci, Amanda Resende / de Assis, Camilla Blanco / Sacramento, Carolina de Queiroz / Fintelman-Rodrigues, Natalia / Koolen, Hector Henrique Ferreira / Vaz, Boniek Gontijo / Simas, Rosineide Costa / Leitão, Gilda Guimarães

Molecules (Basel, Switzerland)

2022 Volume 27, Issue 2

Abstract: ... Siparuna ... ...

Abstract	Siparuna glycycarpa
MeSH term(s)	1-Butanol
Chemical Substances	1-Butanol (8PJ61P6TS3)
Language	English
Publishing date	2022-01-08
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules27020399
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Article ; Online: Severe influenza infection is associated with inflammatory programmed cell death in infected macrophages.

Ferreira, André C / Sacramento, Carolina Q / Pereira-Dutra, Filipe S / Fintelman-Rodrigues, Natália / Silva, Priscila P / Mattos, Mayara / de Freitas, Caroline S / Marttorelli, Andressa / de Melo, Gabrielle R / Campos, Mariana M / Azevedo-Quintanilha, Isaclaudia G / Carlos, Aluana S / Emídio, João Vítor / Garcia, Cristiana C / Bozza, Patrícia T / Bozza, Fernando A / Souza, Thiago M L

Frontiers in cellular and infection microbiology

2023 Volume 13, Page(s) 1067285

Abstract: Introduction: Influenza A virus (IAV) is one of the leading causes of respiratory tract infections in humans, representing a major public health concern. The various types of cell death have a crucial role in IAV pathogenesis because this virus may ... ...

Abstract	Introduction: Influenza A virus (IAV) is one of the leading causes of respiratory tract infections in humans, representing a major public health concern. The various types of cell death have a crucial role in IAV pathogenesis because this virus may trigger both apoptosis and necroptosis in airway epithelial cells in parallel. Macrophages play an important role in the clearance of virus particles, priming the adaptive immune response in influenza. However, the contribution of macrophage death to pathogenesis of IAV infection remains unclear. Methods: In this work, we investigated IAV-induced macrophage death, along with potential therapeutic intervention. We conducted in vitro and in vivo experiments to evaluate the mechanism and the contribution of macrophages death to the inflammatory response induced by IAV infection. Results: We found that IAV or its surface glycoprotein hemagglutinin (HA) triggers inflammatory programmed cell death in human and murine macrophages in a Toll-like receptor-4 (TLR4)- and TNF-dependent manner. Anti-TNF treatment in vivo with the clinically approved drug etanercept prevented the engagement of the necroptotic loop and mouse mortality. Etanercept impaired the IAV-induced proinflammatory cytokine storm and lung injury. Conclusion: In summary, we demonstrated a positive feedback loop of events that led to necroptosis and exacerbated inflammation in IAV-infected macrophages. Our results highlight an additional mechanism involved in severe influenza that could be attenuated with clinically available therapies.
MeSH term(s)	Humans ; Animals ; Mice ; Influenza, Human ; Etanercept ; Tumor Necrosis Factor Inhibitors ; Apoptosis ; Influenza A virus ; Macrophages
Chemical Substances	Etanercept (OP401G7OJC) ; Tumor Necrosis Factor Inhibitors
Language	English
Publishing date	2023-02-16
Publishing country	Switzerland
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ZDB-ID	2619676-1
ISSN	2235-2988 ; 2235-2988
ISSN (online)	2235-2988
ISSN	2235-2988
DOI	10.3389/fcimb.2023.1067285
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Article ; Online: Commercially Available Flavonols Are Better SARS-CoV-2 Inhibitors than Isoflavone and Flavones.

Chaves, Otávio Augusto / Fintelman-Rodrigues, Natalia / Wang, Xuanting / Sacramento, Carolina Q / Temerozo, Jairo R / Ferreira, André C / Mattos, Mayara / Pereira-Dutra, Filipe / Bozza, Patrícia T / Castro-Faria-Neto, Hugo Caire / Russo, James J / Ju, Jingyue / Souza, Thiago Moreno L

Viruses

2022 Volume 14, Issue 7

Abstract: Despite the fast development of vaccines, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still circulating and generating variants of concern (VoC) that escape the humoral immune response. In this context, the search for anti-SARS-CoV-2 ... ...

Abstract	Despite the fast development of vaccines, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still circulating and generating variants of concern (VoC) that escape the humoral immune response. In this context, the search for anti-SARS-CoV-2 compounds is still essential. A class of natural polyphenols known as flavonoids, frequently available in fruits and vegetables, is widely explored in the treatment of different diseases and used as a scaffold for the design of novel drugs. Therefore, herein we evaluate seven flavonoids divided into three subclasses, isoflavone (genistein), flavone (apigenin and luteolin) and flavonol (fisetin, kaempferol, myricetin, and quercetin), for COVID-19 treatment using cell-based assays and in silico calculations validated with experimental enzymatic data. The flavonols were better SARS-CoV-2 inhibitors than isoflavone and flavones. The increasing number of hydroxyl groups in ring B of the flavonols kaempferol, quercetin, and myricetin decreased the 50% effective concentration (EC
MeSH term(s)	COVID-19/drug therapy ; Flavones/pharmacology ; Flavonoids/pharmacology ; Flavonols/pharmacology ; Humans ; Isoflavones/pharmacology ; Kaempferols ; Molecular Docking Simulation ; Protease Inhibitors ; Quercetin/pharmacology ; SARS-CoV-2
Chemical Substances	Flavones ; Flavonoids ; Flavonols ; Isoflavones ; Kaempferols ; Protease Inhibitors ; Quercetin (9IKM0I5T1E)
Language	English
Publishing date	2022-06-30
Publishing country	Switzerland
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	2516098-9
ISSN	1999-4915 ; 1999-4915
ISSN (online)	1999-4915
ISSN	1999-4915
DOI	10.3390/v14071458
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Article ; Online: Agathisflavone, a natural biflavonoid that inhibits SARS-CoV-2 replication by targeting its proteases.

Chaves, Otávio Augusto / Lima, Carlyle Ribeiro / Fintelman-Rodrigues, Natalia / Sacramento, Carolina Q / de Freitas, Caroline S / Vazquez, Leonardo / Temerozo, Jairo R / Rocha, Marco E N / Dias, Suelen S G / Carels, Nicolas / Bozza, Patrícia T / Castro-Faria-Neto, Hugo Caire / Souza, Thiago Moreno L

International journal of biological macromolecules

2022 Volume 222, Issue Pt A, Page(s) 1015–1026

Abstract: Despite the fast development of vaccines, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) still circulates through variants of concern (VoC) and escape the humoral immune response. SARS-CoV-2 has provoked over 200,000 deaths/months since ...

Abstract	Despite the fast development of vaccines, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) still circulates through variants of concern (VoC) and escape the humoral immune response. SARS-CoV-2 has provoked over 200,000 deaths/months since its emergence and only a few antiviral drugs showed clinical benefit up to this moment. Thus, chemical structures endowed with anti-SARS-CoV-2 activity are important for continuous antiviral development and natural products represent a fruitful source of substances with biological activity. In the present study, agathisflavone (AGT), a biflavonoid from Anacardium occidentale was investigated as a candidate anti-SARS-CoV-2 compound. In silico and enzymatic analysis indicated that AGT may target mainly the viral main protease (M
MeSH term(s)	Humans ; SARS-CoV-2 ; Coronavirus 3C Proteases ; Biflavonoids/pharmacology ; Peptide Hydrolases ; Antiviral Agents/chemistry ; Protease Inhibitors/chemistry ; COVID-19 Drug Treatment
Chemical Substances	Coronavirus 3C Proteases (EC 3.4.22.28) ; agathisflavone (28441-98-7) ; Biflavonoids ; Peptide Hydrolases (EC 3.4.-) ; Antiviral Agents ; Protease Inhibitors
Language	English
Publishing date	2022-09-29
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	282732-3
ISSN	1879-0003 ; 0141-8130
ISSN (online)	1879-0003
ISSN	0141-8130
DOI	10.1016/j.ijbiomac.2022.09.204
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Article ; Online: Computational and Experimental Approaches Identify Beta-Blockers as Potential SARS-CoV-2 Spike Inhibitors.

Puhl, Ana C / Mottin, Melina / Sacramento, Carolina Q / Tavella, Tatyana Almeida / Dias, Gabriel Gonçalves / Fintelman-Rodrigues, Natalia / Temerozo, Jairo R / Dias, Suelen S G / Ramos, Paulo Ricardo Pimenta da Silva / Merten, Eric M / Pearce, Kenneth H / Costa, Fabio Trindade Maranhão / Premkumar, Lakshmanane / Souza, Thiago Moreno L / Andrade, Carolina Horta / Ekins, Sean

ACS omega

2022 Volume 7, Issue 32, Page(s) 27950–27958

Abstract: Finding antivirals for SARS-CoV-2 is still a major challenge, and many computational and experimental approaches have been employed to find a solution to this problem. While the global vaccination campaigns are the primary driver of controlling the ... ...

Abstract	Finding antivirals for SARS-CoV-2 is still a major challenge, and many computational and experimental approaches have been employed to find a solution to this problem. While the global vaccination campaigns are the primary driver of controlling the current pandemic, orally bioavailable small-molecule drugs and biologics are critical to overcome this global issue. Improved therapeutics and prophylactics are required to treat people with circulating and emerging new variants, addressing severe infection, and people with underlying or immunocompromised conditions. The SARS-CoV-2 envelope spike is a challenging target for viral entry inhibitors. Pindolol presented a good docking score in a previous virtual screening using computational docking calculations after screening a Food and Drug Administration (FDA)-approved drug library of 2400 molecules as potential candidates to block the SARS-CoV-2 spike protein interaction with the angiotensin-converting enzyme 2 (ACE-2). Here, we expanded the computational evaluation to identify five beta-blockers against SARS-CoV-2 using several techniques, such as microscale thermophoresis, NanoDSF, and
Language	English
Publishing date	2022-08-08
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.2c01707
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