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SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
- Source :
-
Journal of medicinal chemistry [J Med Chem] 2024 Oct 10; Vol. 67 (19), pp. 17144-17161. Date of Electronic Publication: 2024 Sep 18. - Publication Year :
- 2024
-
Abstract
- Enterovirus infections are common in humans, yet there are no approved antiviral treatments. In this study we concentrated on inhibition of one of the Enterovirus B (EV-B), namely Coxsackievirus A9 (CVA9), using a combination of medicinal chemistry, virus inhibition assays, structure determination from cryogenic electron microscopy and molecular modeling, to determine the structure activity relationships for a promising class of novel N -phenylbenzylamines. Of the new 29 compounds synthesized, 10 had half maximal effective concentration (EC <subscript>50</subscript> ) values between 0.64-10.46 μM, and of these, 7 had 50% cytotoxicity concentration (CC <subscript>50</subscript> ) values higher than 200 μM. In addition, this new series of compounds showed promising physicochemical properties and act through capsid stabilization, preventing capsid expansion and subsequent release of the genome.
- Subjects :
- Structure-Activity Relationship
Humans
Capsid Proteins metabolism
Capsid Proteins chemistry
Capsid Proteins antagonists & inhibitors
Models, Molecular
Chlorocebus aethiops
Antiviral Agents pharmacology
Antiviral Agents chemistry
Antiviral Agents chemical synthesis
Enterovirus B, Human drug effects
Capsid drug effects
Capsid metabolism
Capsid chemistry
Subjects
Details
- Language :
- English
- ISSN :
- 1520-4804
- Volume :
- 67
- Issue :
- 19
- Database :
- MEDLINE
- Journal :
- Journal of medicinal chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 39292620
- Full Text :
- https://doi.org/10.1021/acs.jmedchem.4c00701