In silico and in vitro studies of isolated constituents from Callistemon citrinus leaves: Anti-microbial potential and inhibition of iNOS activity.

Autor: Abdelmalek EM; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA; Department of Pharmacognosy, Faculty of Pharmacy, Assiut University, Assiut, 71526, Egypt., Zulfiqar F; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA., Albadry MA; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA., Khan SI; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA; Division of Pharmacognosy, Department of BioMolecular Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA., Meepagala KM; USDA-ARS NPURU, University of Mississippi, University, MS, 38677, USA., Ramadan MA; Department of Pharmacognosy, Faculty of Pharmacy, Assiut University, Assiut, 71526, Egypt., Darwish FM; Department of Pharmacognosy, Faculty of Pharmacy, Assiut University, Assiut, 71526, Egypt., Assaf MH; Department of Pharmacognosy, Faculty of Pharmacy, Assiut University, Assiut, 71526, Egypt., Ross SA; National Center for Natural Products Research, Research Institute of Pharmaceutical Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA; Division of Pharmacognosy, Department of BioMolecular Sciences, School of Pharmacy, University of Mississippi, University, MS, 38677, USA. Electronic address: sross@olemiss.edu.
Jazyk: angličtina
Zdroj: Phytochemistry [Phytochemistry] 2021 Jun; Vol. 186, pp. 112745. Date of Electronic Publication: 2021 Apr 09.
DOI: 10.1016/j.phytochem.2021.112745
Abstrakt: Phytochemical investigation of Callistemon citrinus (Curtis) Skeels (syn. Callistemon lanceolatus (Sm.) Sweet and Melaleuca citrina (Curtis) Dum.Cours.) leaves resulted in the isolation of five undescribed compounds, including one acylphloroglucinol derivative and four monoterpene galloylglucosides, in addition to 29 known diverse secondary metabolites. Interestingly, this study reports chemosystematically significant isolation of the monoterpene galloylglucosides from the genus for the first time. Furthermore, exploration of the isolated compounds as inhibitors of inflammation-related molecular targets, molecular docking studies targeting human adipocyte lipid-binding protein FABP4 (3P6H) and human nitric oxide synthase (3E7G) were carried out in order with the in vitro evaluation of the isolated compounds for their anti-microbial and inhibitory of inducible nitric oxide synthase (iNOS) activities. Molecular docking studies revealed that eighteen compounds showed lower docking scores than ibuprofen, the native ligand in the crystal structure 3P6H, and nine compounds showed lower docking scores than AR-C95791, the native ligand in the binding site of 3E7G. Additionally, in vitro studies revealed that seven compounds showed moderate iNOS inhibitory activity. They also were moderately cytotoxic to HepG2, LLC-PK 1 and Vero cells. Pulverulentone A showed moderate antibacterial activity against MRSA (IC 50 22.2 μM) and antifungal activity against C. neoformans, while corosolic acid showed strong antibacterial activity against VRE (IC 50 15.9 μM).Thus, the in silico and in vitro studies indicated that some isolated compounds hold potentials as inhibitors of iNOS activity and anti-microbial agents.
(Copyright © 2021 Elsevier Ltd. All rights reserved.)
Databáze: MEDLINE
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