Skripsi
POTENSI SENYAWA KATEKIN DALAM EKSTRAK GAMBIR (Uncaria gambir Roxb.) SEBAGAI INHIBITOR RESEPTOR HISTAMIN TIPE 1 (H1) UNTUK TERAPI INFLAMASI ORAL (Studi In Silico)
Background: Oral inflammation remains a common health problem in Indonesia. The use of nonsteroidal anti-inflammatory drugs (NSAIDs) as conventional therapy is effective; however, long-term use may cause various side effects. Therefore, safer natural-based alternative therapies are needed. Gambir (Uncaria gambir Roxb.) is known to contain catechin compounds with anti-inflammatory activity. Objective: This study aimed to analyze the potential of catechin against histamine type 1 receptors using an in silico approach. Materials and Methods: The materials used in this study were the 3D structure of the protein H1R and catechin ligand. The study was conducted in silico using Discovery Studio, AutoDock Tools 1.5.7., AutoDock Vina, and PyMOL software through protein and ligand preparation, virtual screening, method validation, and molecular docking stages. Results: Virtual screening demonstrated that catechin fulfilled the drug-likeness parameters and possessed favorable physicochemical characteristics. Method validation showed an RMSD value of < 2 Å, indicating that the docking method was valid. Docking results revealed that catechin exhibited good binding affinity toward the histamine type 1 receptor and formed hydrogen bond and hydrophobic interactions with key amino acid residues at the protein binding site. Conclusion: Catechin in gambir has the potential to be developed as a natural-based anti-inflammatory agent through inhibition of the histamine type 1 receptor.
No other version available