FN Archimer Export Format
PT J
TI In silico chemical library screening and experimental validation of novel compounds with potential varroacide activities
BT 
AF Riva, Clémence
   Suzanne, Peggy
   Charpentier, Gabriel
   Dulin, Fabienne
   Halm-Lemeille, Marie-Pierre
   Sopkova-de Oliveira Santos, Jana
AS 1:1;2:1;3:2;4:1;5:1,3;6:1;
FF 1:;2:;3:;4:;5:PDG-ODE-LITTORAL-LERN;6:;
C1 Normandie Univ, UNICAEN, EA 4258 CERMN (Centre d'Etudes et de Recherche sur le Médicament de Normandie) - FR CNRS INC3M, Caen, France
   VETO-PHARMA, 12-14 avenue du Québec, ZA Courtaboeuf, 91140, Villebon-sur-Yvette
   IFREMER, Laboratoire Environnement Ressources de Normandie, Bd du General de Gaulle, 14520, Port en Bessin, France
C2 UNIV NORMANDIE, FRANCE
   VETO-PHARMA, FRANCE
   IFREMER, FRANCE
SI PORT-EN-BESSIN
SE PDG-ODE-LITTORAL-LERN
IN WOS Ifremer UPR
   copubli-france
   copubli-univ-france
IF 2.751
TC 7
UR https://archimer.ifremer.fr/doc/00499/61033/64439.pdf
LA English
DT Article
DE ;Varroa;Acetylcholinesterase;Acaricide;In silico screening;Docking;Honey bees
AB The mite Varroa destructor is an ectoparasite and has been identified as a major cause of worldwide honey bee colony losses. The use of yearly treatments for the control of varroosis is the most common answer to prevent collapses of honey bee colonies due to the mite. However, the number of effective acaricides is small and the mite tends to become resistant to these few active molecules. In this study, we have been looking for a new original varroacide treatment inhibiting selectively Varroa destructor AChE (vdAChE) with respect to Apis mellifera AChE (amAChE). To do this an original drug design methodology was used applying virtual screening of the CERMN chemolibrary, starting from a vdAChE homology sequence model. By combining the in silico screening with in vitro experiments, two promising compounds were found. In vitro tests of AChE inhibition for both species have confirmed good selectivity toward the mite vdAChE. Moreover, an in vivo protocol was performed and highlighted a varroacide activity without acute consequences on honey bee survival. The two compounds discovered have the potential to become new drug leads for the development of new treatments against the mite varroa. The method described here clearly shows the potential of a drug-design approach to develop new solutions to safeguard honey bee health. 
PY 2019
PD OCT
SO Pesticide Biochemistry And Physiology
SN 0048-3575
PU Elsevier BV
VL 160
UT 000487571100002
BP 11
EP 19
DI 10.1016/j.pestbp.2019.05.012
ID 61033
ER

EF