Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model.

Zhao, Jihui; Cui, Rongrong; Wang, Lihao; Chen, Yingjia; Fu, Zunyun; Ding, Xiaoyu; Cui, Chen; Yang, Tianbiao; Li, Xutong; Xu, Yuan; Chen, Kaixian; Luo, Xiaomin; Jiang, Hualiang; Zheng, Mingyue

Zhao, Jihui; Cui, Rongrong; Wang, Lihao; Chen, Yingjia; Fu, Zunyun; Ding, Xiaoyu; Cui, Chen; Yang, Tianbiao; Li, Xutong; Xu, Yuan; Chen, Kaixian; Luo, Xiaomin; Jiang, Hualiang; Zheng, Mingyue.

Afiliação

Zhao J; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Cui R; University of Chinese Academy of Sciences, No.19(A) Yuquan Road, Shijingshan District, Beijing 100049, China.
Wang L; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Chen Y; College of Pharmacy, Nanjing University of Chinese Medicine, 138 Xianlin Avenue, Qixia District, Nanjing 210023, China.
Fu Z; Gillings School of Public Health, University of North Carolina at Chapel Hill, 135 Dauer Drive, Chapel Hill, North Carolina 27599, United States.
Ding X; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Cui C; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Yang T; College of Pharmacy, Nanjing University of Chinese Medicine, 138 Xianlin Avenue, Qixia District, Nanjing 210023, China.
Li X; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Xu Y; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Chen K; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Luo X; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.
Jiang H; Shanghai EnnovaBio Pharmaceuticals Co., Ltd., Room 404, Building 2, Lane 720, Cailun Road, Pudong New Area, Shanghai 200120, China.
Zheng M; State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China.

J Med Chem ; 63(12): 6523-6537, 2020 06 25.

Article em En | MEDLINE | ID: mdl-32191458

Assuntos

Aldeído Oxidase/metabolismo; Simulação por Computador; Desenho de Fármacos; Inibidores Enzimáticos/farmacologia; Fígado/efeitos dos fármacos; Fígado/enzimologia; Xenobióticos/farmacologia; Biotransformação; Humanos; Inativação Metabólica

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação por Computador / Desenho de Fármacos / Xenobióticos / Aldeído Oxidase / Inibidores Enzimáticos / Fígado Tipo de estudo: Prognostic_studies Limite: Humans Idioma: En Revista: J Med Chem Assunto da revista: QUIMICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: China

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google