An In Silico Study Anti-Inflammatory of Active Compound of Ramania Leaves Extract (Bouea macrophylla Griffith) Against Angiopoietin-2

Abstract

Traumatic Dental Injury (TDI) is a trauma that occurs when the hard and soft tissues of the oral cavity receive an impact. The prevalence of traumatic dental injury (TDI) experienced at all ages touched the percentage of 20%. According to Petti and colleagues, the prevalence of TDI in primary teeth is higher than in permanent teeth. The prevalence of TDI worldwide by bibliometric analysis in 1999-2018 touched the percentage of 6%-59%. To determine the active compound binding of Bouea macrophylla G. (ramania) as an anti-inflammatory by inhibiting the protein angiopoietin-2 (Ang-2) in silico. Experimental design through in silico method. Methyl ricinoleate compound has RMSD (Root Mean Square Deviation) value of 0 and negative binding affinity value, hydrogen bonding, and the same residue as the comparison ligand, atorvastatin. All active compounds of Bouea macrophylla G. has passed the drug likeness test with Lipinski's Rule parameters. Based on the results of the ADMET test, it is known that the absorption of methyl ricinoelate compounds can be absor bed well, the absorption of Caco-2 cells is the highest compared to the 9 active compounds of Bouea macrophylla G. and atorvastatin, the volume of distribution and total clearance is better than atorvastatin, does not inhibit CYP50, is not mutagenic, carcinogenic, and not hepatotoxic, has lower Oral Rate Acute Toxicity (LD50) and Oral Rate Chronic Toxicity (LOAEL) values compared to atorvastatin. Methyl ricinoloeate can potentially be an anti- inflammatory drug through the inhibition of Ang-2.