Ensemble-Based Virtual Screening Led to the Discovery of New Classes of Potent Tyrosinase Inhibitors.

Choi, Joonhyeok; Choi, Kwang-Eun; Park, Sung Jean; Kim, Sun Yeou; Jee, Jun-Goo

Choi, Joonhyeok; Choi, Kwang-Eun; Park, Sung Jean; Kim, Sun Yeou; Jee, Jun-Goo.

Afiliação

Choi J; Research Institute of Pharmaceutical Sciences, College of Pharmacy, Kyungpook National University , 80 Daehak-ro, Buk-gu, Daegu 702-701, Republic of Korea.
Choi KE; Research Institute of Pharmaceutical Sciences, College of Pharmacy, Kyungpook National University , 80 Daehak-ro, Buk-gu, Daegu 702-701, Republic of Korea.
Park SJ; College of Pharmacy, Gachon University , Incheon 406-799, Republic of Korea.
Kim SY; College of Pharmacy, Gachon University , Incheon 406-799, Republic of Korea.
Jee JG; Research Institute of Pharmaceutical Sciences, College of Pharmacy, Kyungpook National University , 80 Daehak-ro, Buk-gu, Daegu 702-701, Republic of Korea.

J Chem Inf Model ; 56(2): 354-67, 2016 Feb 22.

Article em En | MEDLINE | ID: mdl-26750991

Assuntos

Inibidores Enzimáticos/farmacologia; Monofenol Mono-Oxigenase/antagonistas & inibidores; Di-Hidroxifenilalanina/química; Inibidores Enzimáticos/química; Ensaios de Triagem em Larga Escala; Simulação de Dinâmica Molecular; Teoria Quântica; Curva ROC; Relação Estrutura-Atividade

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Monofenol Mono-Oxigenase / Inibidores Enzimáticos Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Idioma: En Revista: J Chem Inf Model Ano de publicação: 2016 Tipo de documento: Article

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