Amentoflavone and methyl hesperidin, novel lead molecules targeting epitranscriptomic modulator in acute myeloid leukemia: in silico drug screening and molecular dynamics simulation approach.

Manna, Shibambika; Samal, Pragati; Basak, Rohini; Mitra, Anushka; Roy, Arijit Kumar; Kundu, Raima; Ahir, Amrita; Roychowdhury, Amlan; Hazra, Ditipriya

Manna, Shibambika; Samal, Pragati; Basak, Rohini; Mitra, Anushka; Roy, Arijit Kumar; Kundu, Raima; Ahir, Amrita; Roychowdhury, Amlan; Hazra, Ditipriya.

Afiliação

Manna S; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Samal P; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Basak R; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Mitra A; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Roy AK; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Kundu R; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Ahir A; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India.
Roychowdhury A; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India. amlan.roychowdhury@jisuniversity.ac.in.
Hazra D; Department of Bioscience, JIS University, 81, Nilgunj Road, Agarpara, Kolkata, 700109, West Bengal, India. ditipriya.hazra@jisuniversity.ac.in.

J Mol Model ; 29(1): 9, 2022 Dec 16.

Article em En | MEDLINE | ID: mdl-36522514

Assuntos

Leucemia Mieloide Aguda; Simulação de Dinâmica Molecular; Humanos; Avaliação Pré-Clínica de Medicamentos; Simulação de Acoplamento Molecular; Leucemia Mieloide Aguda/tratamento farmacológico; Metiltransferases

Palavras-chave

Cancer; Docking; METTL3; Molecular dynamic simulation; Virtual-screening; m6A modification

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Leucemia Mieloide Aguda / Simulação de Dinâmica Molecular Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Revista: J Mol Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia País de publicação: Alemanha

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