Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A3 Adenosine Receptor Homology Models and Structural Network Analysis Can Predict This Boundary-Reference-Cited by-同舟云学术

Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A3 Adenosine Receptor Homology Models and Structural Network Analysis Can Predict This Boundary

Published:2021-08-26 Issue:17 Volume:64 Page:12525-12536
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Lee Yoonji¹²^ORCID,Hou Xiyan³⁴,Lee Jin Hee¹,Nayak Akshata³,Alexander Varughese³,Sharma Pankaz K.¹,Chang Hyerim¹,Phan Khai⁵,Gao Zhan-Guo⁵,Jacobson Kenneth A.⁵^ORCID,Choi Sun¹^ORCID,Jeong Lak Shin³^ORCID

Affiliation:

1. Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea

2. College of Pharmacy, Chung-Ang University, Seoul 06974, Republic of Korea

3. College of Pharmacy, Seoul National University, Seoul 08826, Republic of Korea

4. College of Life Science, Dalian Minzu University, Dalian 116600, People’s Republic of China

5. Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes and Digestive and Kidney Diseases, National Institute of Health, Bethesda, Maryland 20892, United States

Funder

Ministry of Health and Welfare

National Research Foundation of Korea

Ewha Womans University

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.1c00239

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1. Ligand binding and micro-switches in 7TM receptor structures