STUDI IN SILICO DAN HUBUNGAN KUANTITATIF STRUKTUR TERHADAP AKTIVITAS TANAMAN MANGROVE (Avicennia marina (Forssk.) Vierh.) SEBAGAI ANTIDIABETES

The research is applied to 20 compounds contained  into Avicennia marina which is : 4’,5-dihydroxy-3’,5’,7-trimethoxyflavone, isorhamnetin 3-O-rutinoside, quercetin, stenocarproquinone B, avicennone C, avicennone E, avicennone F, avicennone D,   4’,5-dihydroxy-3’,7-dimethoxyflavone, chrysoeriol 7-O-glucoside, naphta(1,2-b)furan-4,5-dione, 3-hydroxy-naphta(1,2-b)furan-4,5-dione, kaempferol, 5-hydroxy-4’,7-dimethoxyflavone, avicequinone C, 2-[2’-(2’-hydroxy)propyl]-naphta[1,2-b]furan-4,5-dione, 4’,5,7-trihydroxyflavone, luteolin 7-O-methylether, luteolin 7-O-methylether 3’-O-beta-D-glucoside, 5,7-dihydroxy-3’,4’,5’-trimethoxyflavone which are expected  to have an  effect as antidiabetics agent. It is undertaken to find out the linier or nonlinier relationship of  the structure activty (QSAR), the physicochemical characters (lipophilic, electronic, dan steric) to the activity changing ( rerank score ). Moreover, it is also undertaken to find out which one of those 20 Avicennia marina compounds are predicted to possess the activity as the best antidiabetics agent by the comparison of pioglitazon. It is arranged through computerized methods or in silico not only for having  the structure of two and three dimensions but also knowing the physicochemical characters too; through some programs such as  ChemBioDraw Ultra 12.0 and ChemBio3D Ultra 12.0 from CambridgeSoft. The docking program is used to make prediction of  the activity  by using Molegro Virtual  Docker 2011.5.0.0 from CLCBio . by using the peroxisome proliferator-activated receptor-gamma (PPAR𝛾) in code of PDB: 2XKW. The result of the regression analysis through IBM SPSS program shows nonlinear relationship among structures, Avicennia marina physicochemical characters of twenty compound contents dealing with the activity changing. The compound of isorhamnetin 3-O-rutinoside , chrysoeriol 7-O-glucoside, and luteolin 7-O-methylether 3’-O-beta-D-glucoside are predicted to have the best antidiabetics agent if it is compared with the comparing drug pioglitazon.