Inhibition of programmed cell death protein ligand-1 (PD-L1) by benzyl ether derivatives: analyses of conformational change, molecular recognition and binding free energy

Author:

Sun Xin1,Liang Li1,Gu Jinke2,Zhuo Wei2,Yan Xiao1,Xie Tao1,Wu Zhixiang1,Liu Xinyu3,Gou Xiaojun1,Liu Wei1,He Gang1,Gan Ya1,Chang Shan4,Shi Hubing3,Hu Jianping1

Affiliation:

1. College of Pharmacy and Biological Engineering, Sichuan Industrial Institute of Antibiotics, Key Laboratory of Medicinal and Edible Plants Resources Development of Sichuan Education Department, Antibiotics Research and Re-evaluation Key Laboratory of Sichuan Province, Chengdu University, Chengdu, China;

2. Ministry of Education Key Laboratory of Protein Science, Tsinghua-Peking Joint Center for Life Sciences, Beijing Advanced Innovation Center for Structural Biology, School of Life Sciences, Tsinghua University, Beijing, China;

3. Laboratory of Tumor Targeted and Immune Therapy, Clinical Research Center for Breast, State Key Laboratory of Biotherapy, West China Hospital, Sichuan University and Collaborative Innovation Center, Chengdu, China;

4. Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou, China

Funder

National Key Research and Development Program of China

National Natural Science Foundation of China

the joint International Cooperation grant from the Science and Technology department of Sichuan Province

Project of Chengdu Science and Technology bureau

Key Program of the Science and Technology Bureau of Sichuan

Key Project of Sichuan Provincial Education Bureau

Project of Sichuan Traditional Chinese Medicine Administration

The Projector of Sichuan Provincial Key Laboratory of nature product chemistry and small molecule catalysis

The projector of Sichuan provincial Key Laboratory of Antibiotics Research and Re-evaluation

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

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