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

Author:

Zhao Jihui12,Cui Rongrong13,Wang Lihao4,Chen Yingjia1,Fu Zunyun13,Ding Xiaoyu1,Cui Chen1,Yang Tianbiao1,Li Xutong1,Xu Yuan5,Chen Kaixian136,Luo Xiaomin1ORCID,Jiang Hualiang136,Zheng Mingyue12ORCID

Affiliation:

1. State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, China

2. University of Chinese Academy of Sciences, No.19(A) Yuquan Road, Shijingshan District, Beijing 100049, China

3. College of Pharmacy, Nanjing University of Chinese Medicine, 138 Xianlin Avenue, Qixia District, Nanjing 210023, China

4. Gillings School of Public Health, University of North Carolina at Chapel Hill, 135 Dauer Drive, Chapel Hill, North Carolina 27599, United States

5. Shanghai EnnovaBio Pharmaceuticals Co., Ltd., Room 404, Building 2, Lane 720, Cailun Road, Pudong New Area, Shanghai 200120, China

6. Shanghai Institute for Advanced Immunochemical Studies, and School of Life Science and Technology, ShanghaiTech University, Shanghai 200031, China

Funder

National Natural Science Foundation of China

Department of S and T for Social Development

Chinese Academy of Sciences

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

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