_version_ 1868266209158365184
author de Menezes, Ag-Anne Pereira Melo
Moura, Michely Laiany Vieira
de Oliveira Filho, José Williams Gomes
do Nascimento, Maria Luisa Lima Barreto
Gonçalves, Juan Carlos Ramos
Sobral, Marianna Vieira
Marques, Karinne Kelly Gadelha
da Silva, Felipe Cavalcanti Carneiro
De Freitas, Guilherme Barroso L
Silva, Vladimir Costa
Coêlho, Shamya Gabriella Corrêa
Gualter, Marjorie Pereira
Negreiros, Helber Alves
do Lago, João Pedro Alves Damaceno
de Sousa, Igor Gabriel Barbosa
Rolim, Hercília Maria Lins
de Castro E Sousa, João Marcelo
author_facet de Menezes, Ag-Anne Pereira Melo
Moura, Michely Laiany Vieira
de Oliveira Filho, José Williams Gomes
do Nascimento, Maria Luisa Lima Barreto
Gonçalves, Juan Carlos Ramos
Sobral, Marianna Vieira
Marques, Karinne Kelly Gadelha
da Silva, Felipe Cavalcanti Carneiro
De Freitas, Guilherme Barroso L
Silva, Vladimir Costa
Coêlho, Shamya Gabriella Corrêa
Gualter, Marjorie Pereira
Negreiros, Helber Alves
do Lago, João Pedro Alves Damaceno
de Sousa, Igor Gabriel Barbosa
Rolim, Hercília Maria Lins
de Castro E Sousa, João Marcelo
de Menezes, Ag-Anne Pereira Melo
Moura, Michely Laiany Vieira
de Oliveira Filho, José Williams Gomes
do Nascimento, Maria Luisa Lima Barreto
Gonçalves, Juan Carlos Ramos
Sobral, Marianna Vieira
Marques, Karinne Kelly Gadelha
da Silva, Felipe Cavalcanti Carneiro
De Freitas, Guilherme Barroso L
Silva, Vladimir Costa
Coêlho, Shamya Gabriella Corrêa
Gualter, Marjorie Pereira
Negreiros, Helber Alves
do Lago, João Pedro Alves Damaceno
de Sousa, Igor Gabriel Barbosa
Rolim, Hercília Maria Lins
de Castro E Sousa, João Marcelo
collection PubMed - marine biology
contents Molecular docking and antitumor evaluation of liposomal nanoformulations containing citrinin. de Menezes, Ag-Anne Pereira Melo Moura, Michely Laiany Vieira de Oliveira Filho, José Williams Gomes do Nascimento, Maria Luisa Lima Barreto Gonçalves, Juan Carlos Ramos Sobral, Marianna Vieira Marques, Karinne Kelly Gadelha da Silva, Felipe Cavalcanti Carneiro De Freitas, Guilherme Barroso L Silva, Vladimir Costa Coêlho, Shamya Gabriella Corrêa Gualter, Marjorie Pereira Negreiros, Helber Alves do Lago, João Pedro Alves Damaceno de Sousa, Igor Gabriel Barbosa Rolim, Hercília Maria Lins de Castro E Sousa, João Marcelo Humans Molecular Docking Simulation Citrinin Liposomes Antineoplastic Agents MCF-7 Cells Apoptosis Cell Survival Breast Neoplasms Nanoparticles Female The search for novel drugs based on natural products combined with nanosystems has circumvented limitations and barriers in cancer treatment. Citrinin (CIT), a mycotoxin produced by the fungus Penicillium citrinum, has demonstrated cytotoxicity in tumor models and may represent a promising antitumor agent. In this study, we aimed to evaluate the cytotoxic, genotoxic, and mutagenic effects of CIT and a liposomal nanoformulation containing CIT (LP-CIT) in MCF7 breast cancer cells. The selected concentrations were based on preliminary range-finding assays to determine optimal cytotoxicity while maintaining assay reliability. The toxicogenetic evaluations and mechanistic analyses included MTT, trypan blue exclusion, cytokinesis-block micronucleus (CBMN) assays, fluorescence confocal microscopy, and molecular docking studies. CIT and LP-CIT showed cytotoxicity in MCF7 cells, with LP-CIT presenting significantly reduced IC50 values (0.90 µg/mL) compared to free CIT (18.25 µg/mL), possibly due to enhanced cellular uptake via liposomal delivery. Confocal microscopy revealed that both treatments significantly reduced cell viability and increased apoptosis. In addition, CBMN assays demonstrated equivalent cytostatic and mutagenic effects for CIT and LP-CIT. Docking analysis suggested interactions of CIT with mitogen-activated protein kinases, including MAPK-1, B-Raf, and ERK, indicating possible activation of apoptotic pathways via ERK1/2. In conclusion, CIT and its liposomal nanoformulation (LP-CIT) exhibited cytotoxic and mutagenic activity in human breast tumor cells by inducing apoptosis and modulating oncogenic pathways.
format Artículo científico
id pubmed_40310529
institution PubMed
language en
publishDate 2025
publisher Naunyn-Schmiedeberg's archives of pharmacology
record_format pubmed
spellingShingle Molecular docking and antitumor evaluation of liposomal nanoformulations containing citrinin.
de Menezes, Ag-Anne Pereira Melo
Moura, Michely Laiany Vieira
de Oliveira Filho, José Williams Gomes
do Nascimento, Maria Luisa Lima Barreto
Gonçalves, Juan Carlos Ramos
Sobral, Marianna Vieira
Marques, Karinne Kelly Gadelha
da Silva, Felipe Cavalcanti Carneiro
De Freitas, Guilherme Barroso L
Silva, Vladimir Costa
Coêlho, Shamya Gabriella Corrêa
Gualter, Marjorie Pereira
Negreiros, Helber Alves
do Lago, João Pedro Alves Damaceno
de Sousa, Igor Gabriel Barbosa
Rolim, Hercília Maria Lins
de Castro E Sousa, João Marcelo
Humans
Molecular Docking Simulation
Citrinin
Liposomes
Antineoplastic Agents
MCF-7 Cells
Apoptosis
Cell Survival
Breast Neoplasms
Nanoparticles
Female
Molecular docking and antitumor evaluation of liposomal nanoformulations containing citrinin. de Menezes, Ag-Anne Pereira Melo Moura, Michely Laiany Vieira de Oliveira Filho, José Williams Gomes do Nascimento, Maria Luisa Lima Barreto Gonçalves, Juan Carlos Ramos Sobral, Marianna Vieira Marques, Karinne Kelly Gadelha da Silva, Felipe Cavalcanti Carneiro De Freitas, Guilherme Barroso L Silva, Vladimir Costa Coêlho, Shamya Gabriella Corrêa Gualter, Marjorie Pereira Negreiros, Helber Alves do Lago, João Pedro Alves Damaceno de Sousa, Igor Gabriel Barbosa Rolim, Hercília Maria Lins de Castro E Sousa, João Marcelo Humans Molecular Docking Simulation Citrinin Liposomes Antineoplastic Agents MCF-7 Cells Apoptosis Cell Survival Breast Neoplasms Nanoparticles Female The search for novel drugs based on natural products combined with nanosystems has circumvented limitations and barriers in cancer treatment. Citrinin (CIT), a mycotoxin produced by the fungus Penicillium citrinum, has demonstrated cytotoxicity in tumor models and may represent a promising antitumor agent. In this study, we aimed to evaluate the cytotoxic, genotoxic, and mutagenic effects of CIT and a liposomal nanoformulation containing CIT (LP-CIT) in MCF7 breast cancer cells. The selected concentrations were based on preliminary range-finding assays to determine optimal cytotoxicity while maintaining assay reliability. The toxicogenetic evaluations and mechanistic analyses included MTT, trypan blue exclusion, cytokinesis-block micronucleus (CBMN) assays, fluorescence confocal microscopy, and molecular docking studies. CIT and LP-CIT showed cytotoxicity in MCF7 cells, with LP-CIT presenting significantly reduced IC50 values (0.90 µg/mL) compared to free CIT (18.25 µg/mL), possibly due to enhanced cellular uptake via liposomal delivery. Confocal microscopy revealed that both treatments significantly reduced cell viability and increased apoptosis. In addition, CBMN assays demonstrated equivalent cytostatic and mutagenic effects for CIT and LP-CIT. Docking analysis suggested interactions of CIT with mitogen-activated protein kinases, including MAPK-1, B-Raf, and ERK, indicating possible activation of apoptotic pathways via ERK1/2. In conclusion, CIT and its liposomal nanoformulation (LP-CIT) exhibited cytotoxic and mutagenic activity in human breast tumor cells by inducing apoptosis and modulating oncogenic pathways.
title Molecular docking and antitumor evaluation of liposomal nanoformulations containing citrinin.
topic Humans
Molecular Docking Simulation
Citrinin
Liposomes
Antineoplastic Agents
MCF-7 Cells
Apoptosis
Cell Survival
Breast Neoplasms
Nanoparticles
Female
url https://pubmed.ncbi.nlm.nih.gov/40310529/