Identification and optimization of TDP1 inhibitors from anthraquinone and chalcone derivatives: consensus scoring virtual screening and molecular simulations.

Moshawih, Said; Goh, Hui Poh; Kifli, Nurolaini; Darwesh, Mohammed Abd ElFattah; Ardianto, Chrismawan; Goh, Khang Wen; Ming, Long Chiau

Moshawih, Said; Goh, Hui Poh; Kifli, Nurolaini; Darwesh, Mohammed Abd ElFattah; Ardianto, Chrismawan; Goh, Khang Wen; Ming, Long Chiau.

Afiliação

Moshawih S; PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam, Gadong, Brunei Darussalam.
Goh HP; PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam, Gadong, Brunei Darussalam.
Kifli N; PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam, Gadong, Brunei Darussalam.
Darwesh MAE; PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam, Gadong, Brunei Darussalam.
Ardianto C; Department of Pharmacy Practice, Universitas Airlangga, Surabaya, Indonesia.
Goh KW; Faculty of Data Science and Information Technology, INTI International University, Nilai, Malaysia.
Ming LC; PAPRSB Institute of Health Sciences, Universiti Brunei Darussalam, Gadong, Brunei Darussalam.

J Biomol Struct Dyn ; : 1-25, 2023 Sep 11.

Article em En | MEDLINE | ID: mdl-37697727

Palavras-chave

Consensus scoring; TDP1; docking; molecular mechanics; virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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