Bicyclic monoterpenoid-based orthopoxvirus inhibitors: design, synthesis, and biological assessment of a novel amide series

RSC Medicinal Chemistry 2026 Open access

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Authors: Serafim A Tishchenko, Anastasiya Sokolova, Valeriya V Samsonova, Julia G Pushkareva, Nikolay I. Bormotov, Ivan A. Moskalev, Daria E. Solomina, Artem Rogachev, Alina Fatyanova, Sophia S. Borisevich, Olga I. Yarovaya, Olga А. Serova
+6 more Alena S. Ovchinnikova, Alexander Sergeev, Larisa Shishkina, Artemiy Sergeev, Alexander Agafonov, Nariman F. Salakhutdinov
DOI: 10.1039/d6md00217j
Cited by: 1
References: 34

Abstract

∼ 6.7 h), supportive of once-daily dosing. Computational studies involving pharmacophore analysis, molecular docking, and MD simulations elucidated the binding mode to the p37 phospholipase domain and rationalized the observed SAR, highlighting the critical role of hydrophobic interactions and stereochemistry. These findings validate the bicyclic monoterpenoid platform as a promising strategy for discovering potent, metabolically stable anti-orthopoxvirus agents and establish 13d as a compelling lead candidate for further preclinical development.

Fields of Study & Subjects

Poxvirus research and outbreaks Plant-derived Lignans Synthesis and Bioactivity Herpesvirus Infections and Treatments

Publication details

Journal / source
RSC Medicinal Chemistry
Publisher
Royal Society of Chemistry (RSC)
Volume
17
Issue
5
Pages
2605–2629
Publication date
1 January 2026
Language
EN