title: Reverse pharmacognosy: identifying biological properties for plants by means of their molecule constituents: application to meranzin.
abstract: Reverse pharmacognosy aims at finding biological targets for natural compounds by virtual or real screening and identifying natural resources that contain the active molecules. We report herein a study focused on the identification of biological properties of meranzin, a major component isolated from Limnocitrus littoralis (Miq.) Swingle. Selnergy, an IN SILICO biological profiling software, was used to identify putative binding targets of meranzin. Among the 400 screened proteins, 3 targets were selected: COX1, COX2 and PPARgamma. Binding tests were realised for these 3 protein candidates, as well as two negative controls. The predictions made by Selnergy were consistent with the experimental results, meaning that these 3 targets can be modulated by an extract containing this compound in a suitable concentration. These results demonstrate that reverse pharmacognosy and its inverse docking component is a powerful tool to identify biological properties for natural molecules and hence for plants containing these compounds.
authors.affiliation: GREENPHARMA S. A., Orléans, France.
authors.forename: Quoc-Tuan
authors.initials: QT
authors.lastname: Do
authors.forename: Cécile
authors.initials: C
authors.lastname: Lamy
authors.forename: Isabelle
authors.initials: I
authors.lastname: Renimel
authors.forename: Nancy
authors.initials: N
authors.lastname: Sauvan
authors.forename: Patrice
authors.initials: P
authors.lastname: André
authors.forename: Franck
authors.initials: F
authors.lastname: Himbert
authors.forename: Luc
authors.initials: L
authors.lastname: Morin-Allory
authors.forename: Philippe
authors.initials: P
authors.lastname: Bernard
mesh_terms: D003374:Coumarins / Q000737:chemistry / Q000302:isolation & purification / Q000378:metabolism*; D051545:Cyclooxygenase 1 / Q000378:metabolism; D051546:Cyclooxygenase 2 / Q000378:metabolism; D004852:Epoxy Compounds / Q000737:chemistry / Q000302:isolation & purification / Q000378:metabolism; D015394:Molecular Structure; D047495:PPAR gamma / Q000378:metabolism; D010598:Pharmacognosy; D025941:Protein Interaction Mapping; D027821:Rutaceae / Q000737:chemistry*
chemical_list: D003374:Coumarins; D004852:Epoxy Compounds; D047495:PPAR gamma; C508407:meranzin; D051545:Cyclooxygenase 1; D051546:Cyclooxygenase 2