In Silico Investigation Targeting the IL-6/JAK-1/TNF-α Pathway in Rheumatoid arthritis: Matricaria chamomilla L. Compounds
Journal of Computational Biophysics and Chemistry, cilt.24, sa.04, ss.457-470, 2025 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 24 Sayı: 04
- Basım Tarihi: 2025
- Doi Numarası: 10.1142/s2737416524500662
- Dergi Adı: Journal of Computational Biophysics and Chemistry
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.457-470
- Anahtar Kelimeler: ADME/T characteristics, drug-like properties, Matricaria chamomilla L, molecular dynamics simulation, rheumatoid arthritis
- Sağlık Bilimleri Üniversitesi Adresli: Evet
Özet
Chamomile, emphasized as an herbal remedy with healing potential for human health, is used in traditional medicine. In this study, the potential of compounds derived from Matricaria chamomilla L. against IL-6, JAK-1 and TNF-α target proteins associated with rheumatoid arthritis (RA) was compared with known inhibitors. The drug-likeness and ADME/T properties of these compounds were investigated using online tools, and molecular docking and molecular dynamics simulations of the selected structures were examined. IL-6, JAK-1 and TNF-α formed stable complexes with apigenin, quercetin and galaxolide, respectively, demonstrating that these compounds exhibit potential inhibitory activity against RA.