@article{a3348cbac2584e1e96766755fc7ab533,
title = "Discovery of Adamantane Carboxamides as Ebola Virus Cell Entry and Glycoprotein Inhibitors",
abstract = "We identified and explored the structure-activity-relationship (SAR) of an adamantane carboxamide chemical series of Ebola virus (EBOV) inhibitors. Selected analogs exhibited half-maximal inhibitory concentrations (EC50 values) of ∼10-15 nM in vesicular stomatitis virus (VSV) pseudotyped EBOV (pEBOV) infectivity assays, low hundred nanomolar EC50 activity against wild type EBOV, aqueous solubility >20 mg/mL, and attractive metabolic stability in human and nonhuman liver microsomes. X-ray cocrystallographic characterizations of a lead compound with the EBOV glycoprotein (GP) established the EBOV GP as a target for direct compound inhibitory activity and further provided relevant structural models that may assist in identifying optimized therapeutic candidates.",
keywords = "Ebola virus, adamantane carboxamide, cell entry, glycoprotein",
author = "Plewe, {Michael B.} and Sokolova, {Nadezda V.} and Gantla, {Vidyasagar Reddy} and Brown, {Eric R.} and Shibani Naik and Alexandra Fetsko and Lorimer, {Donald D.} and Lorimer, {Donald D.} and Dranow, {David M.} and Dranow, {David M.} and Hayden Smutney and Hayden Smutney and Jameson Bullen and Jameson Bullen and Rana Sidhu and Rana Sidhu and Arshil Master and Arshil Master and Junru Wang and Junru Wang and Kallel, {E. Adam} and Lihong Zhang and Birte Kalveram and Freiberg, {Alexander N.} and Greg Henkel and Ken McCormack",
note = "Funding Information: This work was funded in whole or in part with Federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services, under SIBR grants R43AI118207 and R43AI138878 and Contract #HHSN272201700059C. Publisher Copyright: Copyright {\textcopyright} 2020 American Chemical Society.",
year = "2020",
month = jun,
day = "11",
doi = "10.1021/acsmedchemlett.0c00025",
language = "English (US)",
volume = "11",
pages = "1160--1167",
journal = "ACS Medicinal Chemistry Letters",
issn = "1948-5875",
publisher = "American Chemical Society",
number = "6",
}