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Accelerated Discovery of Potent Fusion Inhibitors for Respiratory Syncytial Virus. 2020
Nicole Pribut, and
Thomas M Kaiser, and
Robert J Wilson, and
Edgars Jecs, and
Zackery W Dentmon, and
Stephen C Pelly, and
Savita Sharma, and
Perry W Bartsch, and
Pieter B Burger, and
Soyon S Hwang, and
Thalia Le, and
Julien Sourimant, and
Jeong-Joong Yoon, and
Richard K Plemper, and
Dennis C Liotta
Department of Chemistry, Emory University, 1515 Dickey Drive, Atlanta, Georgia 30322, United States.
A series of five benzimidazole-based compounds were identified using a machine learning algorithm as potential inhibitors of the respiratory syncytial virus (RSV) fusion protein. These compounds were synthesized, and compound 2 in particular exhibited excellent in vitro potency with an EC50 value of 5 nM. This new scaffold was then further refined leading to the identification of compound 44, which exhibited a 10-fold improvement in activity with an EC50 value of 0.5 nM.
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Pieter B Burger, and
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