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1.
J Chromatogr A ; 1714: 464555, 2024 Jan 11.
Artigo em Inglês | MEDLINE | ID: mdl-38091714

RESUMO

The objective of this study was to evaluate the efficiency of nematodes in zooremediation of chlorpyrifos (CPF), an organophosphate pesticide. The nematode population Acrobeloides maximus (A. maximus) was employed for bioremediation, converting CPF into non-toxic residues. Optimal growth conditions for mass production of A. maximus were achieved by maintaining a temperature of 25 °C, pH 8, and supplementing the culture medium with plant nutrients. The nematodes were then immobilized within sodium alginate beads. The efficacy of the degradation process was assessed using various analytical techniques, including UV-Visible spectroscopy, HPTLC, FTIR, and LC-MS, confirming the successful breakdown of CPF. The bioreactor demonstrated a complete degradation efficiency of CPF exceeding 99%. Additionally, LC-MS analysis was conducted to elucidate the degradation pathway based on the formation of intermediates. These results underscore the potential of A. maximus as a sustainable organism for addressing environmental contamination arising from CPF pesticide.


Assuntos
Clorpirifos , Inseticidas , Praguicidas , Clorpirifos/química , Biodegradação Ambiental , Compostos Organofosforados
2.
J Mol Model ; 29(5): 161, 2023 Apr 28.
Artigo em Inglês | MEDLINE | ID: mdl-37115321

RESUMO

CONTEXT: The persistent spread of highly contagious COVID-19 disease is one of the deadliest occurrences in the history of mankind. Despite the distribution of numerous efficacious vaccines and their extensive usage, the perpetual effectiveness of immunization is being catechized. Therefore, discovering an alternative therapy to control and prevent COVID-19 infections has become a top priority. The main protease (Mpro) plays a key role in viral replication, making it an intriguing pharmacological target for SARS-CoV-2. METHODS: In this context, virtual screening of thirteen bioactive polyphenols and terpenoids of Rosmarinus officinalis L. was performed using several computational modules including molecular docking, ADMET, drug-likeness characteristics, and molecular dynamic simulation to predict the potential inhibitors against SARS-CoV-2 Mpro (PDB: 6LU7). The results suggest that apigenin, betulinic acid, luteolin, carnosol, and rosmarinic acid may emerge as potential inhibitors of SARS-CoV-2 with acceptable drug-likeness, pharmacokinetics, ADMET characteristics, and binding interactions comparable with remdesivir and favipiravir. These findings imply that some of the active components of Rosmarinus officinalis L. can serve as an effective antiviral source for the development of therapeutics for SARS-CoV-2 infection.


Assuntos
COVID-19 , Rosmarinus , Bioprospecção , Simulação de Acoplamento Molecular , SARS-CoV-2 , Antivirais/farmacologia , Simulação de Dinâmica Molecular , Inibidores de Proteases/farmacologia
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