Bioactive Phytochemicals of Citrus reticulata Seeds—An Example of Waste Product Rich in Healthy Skin Promoting Agents

Abstract

Phytochemical investigation of Egyptian mandarin orange (Citrus reticulata Blanco, F. Rutaceae) seeds afforded thirteen known compounds, 1–13. The structures of isolated compounds were assigned using 1D and 2D NMR and HRESIMS analyses. To characterize the pharmacological activity of these compounds, several integrated virtual screening-based and molecular dynamics simulation-based experiments were applied. As a result, compounds 2, 3 and 5 were putatively identified as hyaluronidase, xanthine oxidase and tyrosinase inhibitors. The subsequent in vitro testing was done to validate the in silico-based experiments to highlight the potential of these flavonoids as promising hyaluronidase, xanthine oxidase and tyrosinase inhibitors with IC50 values ranging from 6.39 ± 0.36 to 73.7 ± 2.33 µM. The present study shed light on the potential of Egyptian mandarin orange’s waste product (i.e., its seeds) as a skin health-promoting natural agent. Additionally, it revealed the applicability of integrated inverse docking-based virtual screening and MDS-based experiments in efficiently predicting the biological potential of natural products.

The Protective and Therapeutic Anti-Alzheimer Potential of Olea europaea L. cv. Picual: An In Silico and In Vivo Study

“…Positive and negative ESI ionization modes were used for high-resolution mass spectrometry, which was coupled with a spray voltage of 4.5 kV, a capillary temperature of 320 • C, and a mass range of m/z 150-1500. Based on the parameters established, the MS dataset was processed, and data were extracted using MZmine 2.20 [51]. The detection of mass ion peaks was accompanied by a chromatogram builder and chromatogram deconvolution.…”

Abelmoschus eculentus Seed Extract Exhibits In Vitro and In Vivo Anti-Alzheimer’s Potential Supported by Metabolomic and Computational Investigation

“…The extract was additionally concentrated using reduced pressure to give a syrupy consistency utilizing a rotary evaporator (Buchi Rotavapor R-300, Cole-Parmer, Vernon Hills, IL, USA), kept at 45 °C to afford 20.0 g crude extract. Moreover, this was maintained at 4 °C for biological and metabolomic studies [ 38 , 59 , 60 , 61 , 62 , 63 , 64 , 65 , 66 , 67 , 68 , 69 , 70 , 71 ].…”

Vitis viniferaleaf extract liposomal Carbopol gel preparation's potential wound healing and antibacterial benefits:in vivo, phytochemical, and computational investigation

“…All the resulting fractions and the remaining crude extract were kept at 4 °C for biological and phytochemical investigations. 39–44…”

“…All the resulting fractions and the remaining crude extract were kept at 4 °C for biological and phytochemical investigations. [39][40][41][42][43][44] 2.5. Preparation of Vitis vinifera leaf extract liposomes (VVL-LP) VVL-LP was prepared by the thin film hydration method combined with hot sonication for reduction of the vesicle size and improved homogeneity.…”