Biochemical changes induced by grape seed extract and low level laser therapy administration during intraoral wound healing in rat liver: an experimental and in silico study

Erdemli M. E., Salmas R. E., DURDAĞI S., AKGÜL H., DEMİRKOL M., AKSUNGUR Z., ...Daha Fazla

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, cilt.36, sa.4, ss.993-1008, 2018 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 36 Sayı: 4
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1080/07391102.2017.1305297
  • Dergi Adı: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.993-1008
  • Anahtar Kelimeler: Low level laser therapy, intraoral wound healing, oxidative stress, grape seed extract, liver, rat, molecular modeling, molecular docking, induced fit docking, MM-PBSA, molecular dynamics (MD) simulations, ANTIOXIDANT ENZYME LEVELS, HARD PALATE MUCOSA, PROANTHOCYANIDIN EXTRACT, OXIDATIVE STRESS, CRYSTAL-STRUCTURE, GSK-3-BETA INHIBITORS, INDUCED NEPHROPATHY, VITAMIN-E, PROTEIN, DOCKING
  • İnönü Üniversitesi Adresli: Evet

Özet

In the present study, the changes that occur in rat liver tissue as a result of the use of grape seed extract (GSE) and low level laser therapy (LLLT) in intraoral wound (IW) healing are analyzed using biochemical parameters. Diode laser application groups received 8J/cm(2) dose LLLT once a day for 4days (810nm wavelength, continuous mode, 0.25W, 9s). As a result of the biological parameter analysis, it was determined that the oxidative damage caused by the IWs and recovery period on 7th and 14th days could be substantially removed with GSE applications that have antioxidant capacity especially in rat liver tissue. In addition, the active compound of grape seed, catechin is studied in the active site of glycogen synthase kinase 3 (GSK3) target using molecular modeling approaches. Post-processing molecular dynamics (MD) results for catechin is compared with a standard GSK3 inhibitor. MD simulations assisted for better understanding of inhibition mechanism and the crucial amino acids contributing in the ligand binding. These results along with a through free energy analysis of ligands using sophisticated simulations methods are quite striking and it suggests a greater future role for simulation in deciphering complex patterns of molecular mechanism in combination with methods for understanding drug-receptor interactions.