COVID-19 in Dental Practice Is Prevented by Eugenol Responsible for the Ambient Odor Specific to Dental Offices: Possibility and Speculation DOI Creative Commons
Hironori Tsuchiya,

Yoshiaki Takai

Medical Principles and Practice, Journal Year: 2023, Volume and Issue: 33(2), P. 83 - 89

Published: Dec. 26, 2023

Dental professionals routinely work in proximity to patients even when either or both of them have suspected confirmed COVID-19. The oral cavity also serves as a reservoir for SARS-CoV-2 because the virus is present and replicates secretions (saliva gingival crevicular fluid), tissues (salivary gland periodontal tissue), microenvironments (gingival sulcus pocket). Despite high risk infection, prevalence COVID-19 dentists, dental hygienists, assistants, their was similar that general population during pandemic. We propose eugenol, which responsible ambient odor specific offices, could contribute prevention settings. Eugenol not only released from materials (filling, cement, sealer) but aerosolized by procedures (grinding, polishing, restoration). Such eugenol has been suggested possess potential inhibit infectivity replication SARS-CoV-2, entry into human cells binding specifically viral spike protein, protease indispensable replication. It shown acts on airborne viruses reduce loads. This review highlights hypothesis environment offices impregnated with suppresses transmission contagion between patients, preventing practice. Anti-COVID-19 might give insights safe delivery treatment care era.

Language: Английский

High-throughput virtual screening of phenylpyrimidine derivatives as selective JAK3 antagonists using computational methods DOI
Abdelmoujoud Faris, Ibrahim M. Ibrahim, Hanine Hadni

et al.

Journal of Biomolecular Structure and Dynamics, Journal Year: 2023, Volume and Issue: 42(14), P. 7574 - 7599

Published: Aug. 4, 2023

In this study, we used phenylpyrimidine derivatives with known biological activity against JAK3, a critical tyrosine kinase enzyme involved in signaling pathways, to find similar compounds as potential treatments for rheumatoid arthritis. These inhibitors inhibited JAK3 by forming covalent bond the Cys909 residue, which resulted strong inhibitory effect. Phenylpyrimidine is considered promising therapeutic target. For pharmacophore modeling, 39 high pIC50 (Exp) values were chosen. The best model produced 28 molecules, and five-point common hypothesis from P HASE (DHRRR_1) revealed requirement hydrogen donor feature, hydrophobic group three aromatic ring features further design. validation of phase was performed through 3D-QSAR using partial least squares (P LS). study two successful models, an atom-based (R2 = 0.95; Q2 0.67) field-based 0.93; 0.76), predict new compounds. successfully distinguished between active inactive medications, discovered inhibitors, demonstrated validity ROC 0. 77. ADME-Tox eliminate that might have adverse effects. pharmacokinetics affinity selected docking. A molecular dynamics simulation molecules protein complex confirm stability interaction whereas MM/GBSA simulations confirmed their binding affinity. By principle retrosynthesis, able map out pathway synthesizing these drug candidates. This has offer valuable practical insights optimizing novel phenylpyrimidine.Communicated Ramaswamy H. Sarma.

Language: Английский

Citations

5
Naringenin-4'-glucuronide as a new drug candidate against the COVID-19 Omicron variant: a study based on molecular docking, molecular dynamics, MM/PBSA and MM/GBSA DOI
Alexandre de Fátima Cobre, Moisés Maia Neto, Eduardo Borges de Melo

et al.

Journal of Biomolecular Structure and Dynamics, Journal Year: 2023, Volume and Issue: 42(11), P. 5881 - 5894

Published: July 2, 2023

This study aimed to identify natural bioactive compounds (NBCs) as potential inhibitors of the spike (S1) receptor binding domain (RBD) COVID-19 Omicron variant using computer simulations (

Language: Английский

Citations

4
Network pharmacology and an in silico-based study to identify proinflammatory pathways and promising bioactive polyphenols for the treatment of sickle cell anemia DOI Creative Commons

Lila Rosa Maturana Pérez,

Johana Márquez Lázaro,

Neyder Contreras Puentes

et al.

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 30, 2024

Abstract Sickle cell anemia (SCA) is a disease transmitted as an autosomal recessive Mendelian trait. It causes symptoms that worsen with age, such acute and chronic pain, chest syndrome, pulmonary hypertension, stroke, kidney disease, vaso-occlusive crises (VOCs), which are the leading cause of hospitalization premature death. Although there existing treatments to manage it, side effects related VOCs patients’ inflammatory state requires review options for its control. In this sense, study polyphenols represents potential alternative treatment ACS due their widely reported anti-inflammatory capacities. This research identified hub genes associated processes in SCA by extracting differentially expressed (DEGs) GEO dataset collection. Then, activity were selected from natural product databases, subsequently, molecular docking was performed key protein derived genes. Finally, dynamics on promising complexes. The comparative analysis allowed us find 10 proinflammatory pathways (MX1, FIT1, IFIT3, STAT1, ISG15, GBP1, OAS1, OAS2, OAS3, RSAD); among them, STAT1 central gene regulating expression rest. Docking studies showed good binding energies fifteen polyphenolic extracted compounds, quercetin, diosmetin, fisetin showing lowest energies. These flavonoids have been described past compounds having antioxidant features, well possible alternatives treatment.

Language: Английский

Citations

0
Identification of proinflammatory pathways and promising bioactive polyphenols for the treatment of sickle cell anemia by in silico study and network pharmacology DOI

Lila Rosa Maturana Pérez,

Johana Márquez Lázaro,

Neyder Contreras Puentes

et al.

Published: Feb. 22, 2024

Abstract Sickle cell anemia (SCA) is an autosomal recessive Mendelian trait characterized by symptoms that include acute and chronic pain, chest syndrome, pulmonary hypertension, stroke, kidney disease, vaso-occlusive crises (VOCs), all of which worsen with age; VOCs are the leading cause hospitalization premature death in SCA patients. Currently, despite existence treatments for SCA, negative consequences VOCs’ inflammatory state demand exploration alternative methods control. For this reason, goal research was to find novel pathways promising bioactive polyphenols treatment using a combination network pharmacology silico approaches; due polyphenols, they have shown widely reported anti-inflammatory properties. Initially, hub genes associated processes were identified extracting differentially expressed (DEGs) from publicly available GEO dataset (GSE53441), followed their validation through system biology analysis, Polyphenols activity selected natural product databases; finally, molecular docking dynamics performed key protein derived genes. As result, 10 Type I interferon (IFN-I) pathway (MX1, FIT1, IFIT3, STAT1, ISG15, GBP1, OAS1, OAS2, OAS3, RSAD); among them, STAT1 as central gene regulating expression rest. Docking studies showed good binding energies fifteen polyphenolic extracted compounds, quercetin, diosmetin, fisetin showing lowest energies. Identified flavonoids been described past compounds having antioxidant features, well possible alternatives treatment.

Language: Английский

Citations

0
Identification of proinflammatory pathways and promising bioactive polyphenols for the treatment of sickle cell anemia by in silico study and network pharmacology DOI Creative Commons
Lila Rosa Maturana-Pérez, Johana Marquez-P, Neyder Contreras‐Puentes

et al.

Informatics in Medicine Unlocked, Journal Year: 2024, Volume and Issue: 49, P. 101534 - 101534

Published: Jan. 1, 2024

Sickle cell anemia (SCA) is an autosomal recessive Mendelian trait characterized by symptoms that include acute and chronic pain, chest syndrome, pulmonary hypertension, stroke, kidney disease, vaso-occlusive crises (VOCs), all of which worsen with age; VOCs are the leading cause hospitalization premature death in SCA patients. Currently, despite existence treatments for SCA, negative consequences VOCs' inflammatory state demand exploration alternative methods control. For this reason, goal research was to find novel pathways promising bioactive polyphenols treatment using a combination network pharmacology silico approaches; due polyphenols, they have shown widely reported anti-inflammatory properties. Initially, hub genes associated processes were identified extracting differentially expressed (DEGs) from publicly available GEO dataset (GSE53441), followed their validation through system biology analysis, Polyphenols activity selected natural product databases; finally, molecular docking dynamics performed key protein derived genes. As result, 10 Type I interferon (IFN-I) pathway (MX1, FIT1, IFIT3, STAT1, ISG15, GBP1, OAS1, OAS2, OAS3, RSAD); among them, STAT1 as central gene regulating expression rest. Docking studies showed good binding energies fifteen polyphenolic extracted compounds, quercetin, diosmetin, fisetin showing lowest energies. Identified flavonoids been described past compounds having antioxidant features, well possible alternatives treatment.

Language: Английский

Citations

0
Eugenol Biobased Polydiacetylene DOI Creative Commons
Pierre Baillargeon, David Gendron,

Josée Labrecque

et al.

Crystal Growth & Design, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 1, 2024

Language: Английский

Citations

0
Exploring the Potential of Supercritical Carbon Dioxide for Eugenol Impregnation in 3D Printed Polylactic Acid Structures DOI

Janet de los Angeles Chinellato Díaz,

Marcelo R. Romero, María L. Goñi

et al.

The Journal of Supercritical Fluids, Journal Year: 2024, Volume and Issue: unknown, P. 106469 - 106469

Published: Nov. 1, 2024

Language: Английский

Citations

0
COVID-19 in Dental Practice Is Prevented by Eugenol Responsible for the Ambient Odor Specific to Dental Offices: Possibility and Speculation DOI Creative Commons
Hironori Tsuchiya,

Yoshiaki Takai

Medical Principles and Practice, Journal Year: 2023, Volume and Issue: 33(2), P. 83 - 89

Published: Dec. 26, 2023

Dental professionals routinely work in proximity to patients even when either or both of them have suspected confirmed COVID-19. The oral cavity also serves as a reservoir for SARS-CoV-2 because the virus is present and replicates secretions (saliva gingival crevicular fluid), tissues (salivary gland periodontal tissue), microenvironments (gingival sulcus pocket). Despite high risk infection, prevalence COVID-19 dentists, dental hygienists, assistants, their was similar that general population during pandemic. We propose eugenol, which responsible ambient odor specific offices, could contribute prevention settings. Eugenol not only released from materials (filling, cement, sealer) but aerosolized by procedures (grinding, polishing, restoration). Such eugenol has been suggested possess potential inhibit infectivity replication SARS-CoV-2, entry into human cells binding specifically viral spike protein, protease indispensable replication. It shown acts on airborne viruses reduce loads. This review highlights hypothesis environment offices impregnated with suppresses transmission contagion between patients, preventing practice. Anti-COVID-19 might give insights safe delivery treatment care era.

Language: Английский

Citations

1