Enzymatic assays and molecular modeling studies of Schisandra chinensis lignans and phenolics from fruit and leaf extracts.
Considerable interest has been shown in natural sources and their compounds in developing new therapeutically agents for different diseases. In this framework, investigations performed on this topic play a central role for human health and drug development process. Schisandra chinensis (Turcz.) Baill is a medicinal and edible plant showing highly advantageous bioactivity and nutritional value. The main bioactive compounds from its fruits are lignans, derivatives of dibenzocyclooctadiene whereas concerning its leaves, phenolic acids, and flavonoids are dominant. The purpose of this study was to investigate the enzyme inhibitory potential on selected carbohydrate hydrolases, cholinesterases, and tyrosinase of extracts from fruits and leaves of Schisandra in relation with their main bioactive compounds. Furthermore, the interactions between dominant compounds (schisandrol A, schisandrol B, schisandrin B, and cinnamic acid) from extracts and selected enzymes were investigated by molecular modeling and molecular dynamic studies in order to explain at a molecular level our findings.
a Department of Pharmaceutical Botany, Faculty of Pharmacy , "Iuliu Haţieganu" University of Medicine and Pharmacy , Cluj-Napoca , Romania.
Andrei
A
Mocan
b Department of Biology, Faculty of Science , Selcuk University , Konya , Turkey , and.
Gokhan
G
Zengin
a Department of Pharmaceutical Botany, Faculty of Pharmacy , "Iuliu Haţieganu" University of Medicine and Pharmacy , Cluj-Napoca , Romania.
Gianina
G
Crişan
c Department of Pharmacy , University "G. d'Annunzio" of Chieti-Pescara , Chieti , Italy.
Adriano
A
Mollica
D002802:Cholinesterases / Q000378:metabolism*; D004305:Dose-Response Relationship, Drug; D004791:Enzyme Inhibitors / Q000737:chemistry / Q000302:isolation & purification* / Q000494:pharmacology; D005638:Fruit / Q000737:chemistry; D006026:Glycoside Hydrolases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D006801:Humans; D017705:Lignans / Q000737:chemistry / Q000302:isolation & purification / Q000494:pharmacology*; D008958:Models, Molecular; D015394:Molecular Structure; D014442:Monophenol Monooxygenase / Q000037:antagonists & inhibitors* / Q000378:metabolism; D010636:Phenols / Q000737:chemistry / Q000302:isolation & purification / Q000494:pharmacology*; D010936:Plant Extracts / Q000737:chemistry; D018515:Plant Leaves / Q000737:chemistry; D032141:Schisandra / Q000737:chemistry*; D013329:Structure-Activity Relationship
D004791:Enzyme Inhibitors; D017705:Lignans; D010636:Phenols; D010936:Plant Extracts; D014442:Monophenol Monooxygenase; D002802:Cholinesterases; D006026:Glycoside Hydrolases
Enzyme inhibition; Schisandra chinensis; lignans; molecular modeling; phenolics