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Curcumin has been known and used in the medical and industrial world. One way to improve its stability, bioavailability and its medical applications is using encapsulation method. In this research, we studied cocoliposome (coconut liposome) as the encapsulation material. The encapsulation efficiency (EE), loading capacity (LC), release rate (RR), as well as the free radical scavenging activity, measured by inhibition ratio (IR), of curcumin in encapsulation product were studied on varying cholesterol compositions and in simulated gastric fluid (SGF, pH 1.2) and simulated intestinal fluid (SIF, pH 7.4) conditions. We found that curcumin encapsulation in cocoliposome (CCL) formulation was influenced by cholesterol composition and pH conditions. The EE, LC and free radical scavenging activity diminished under both the SIF and SGF conditions when the cholesterol concentration enhanced. However, the RR increased as the cholesterol intensified. The condition to acquire the most favorable encapsulation parameter values was at 10% cholesterol composition. Furthermore, the IR results at 10% cholesterol concentration of CCL was 67.70 and 82.13% in SGF and SIF milieu, respectively. The CCL formulation thrived better under SIF conditions for free radical scavenging activities.

Abstract. In this study sesame liposomes were used to encapsulate both vitamin C and betacarotene simultaneously. Liposomes were prepared with addition of cholesterol. The encapsulation efficiency (EE) of sesame liposomes for vitamin C in the present of beta-carotene was 77%. The addition of cholesterol increased the encapsulation efficiency. The highest encapsulation efficiency was 89% obtained in liposomes with 10% and 20% cholesterol. Contrary to that, the highest beta-carotene encapsulation efficiency of 78%, was found in the sesame liposomes prepared without the added cholesterol. Results showed that sesame liposomes can be used to encapsulate beta-carotene and vitamin C simultaneously. When beta-carotene and vitamin C were encapsulated concurrently, cholesterol intensified the efficiency of vitamin C encapsulation on the contrary it diminished the efficiency of beta-carotene encapsulation.

In this paper, carboxymethyl chitosan (CMC) was synthesized and studied as a carrier to encapsulate vitamin (as drug model) and controlled release. Chitosan (CS) is a polycationic derivated from chitin

A r t i c l e I n f o A b s t r a c t Keywords:ADTC3, E-cadherin domain EC1, Gromacs, dockingThe treatment of diseases that attack the brain is very difficult, because the delivery of drug molecules to the brain is often hindered by the molecules of blood-brain barrier (BBB). Thus, it was developed the new method using synthetic peptide which derived from the amino acids sequence of cadherin and ADTC3 predicted able to modulate the intercellular junction peptide. The intermolecular interaction between ADTC3 and Ecadherin is hypothesized as the driving force of modulation. In this research have been calculated the interaction energy between ADTC3 and E-cadherin. The method used in this research is molecular dynamics (MD) and molecular docking. The results show that cyclic peptide ADTC3 (Ac-CADTPC-NH2) simulated for 20 ns (20,000 ps) has considerable interaction with EC1 domain of E-cadherin which have the binding energies -31.55 kJ.mol -1 and inhibition constant Ki 2.96 μM at the 4487 conformation. This highly interaction energy was predicted as the driving force in modulating intercellular junctions. The binding site of E-cadherin reside on amino acid residues Asp1, Trp2, Val3, Ile4, Lys25, Met92 in the adhesion arm-acceptor pocket region. A b s t r a kKata kunci: ADTC3, E-cadherin domain EC1, Gromacs, docking Pengobatan penyakit yang menyerang otak sangat sulit dilakukan karena penghantaran molekul obat menuju otak terhalang oleh molekul-molekul blood-brain barrier (BBB). Untuk mengatasinya telah dikembangkan metode baru dengan memodulasi junction antar sel menggunakan peptida. Salah satu peptida yang diperkirakan mampu memodulasi adalah ADTC3, yang diturunkan dari susunan asam amino kadherin. Modulasi terjadi diduga karena interaksi antara ADTC3 dengan E-kadherin. Pada penelitian ini telah dihitung energi interaksi antara ADTC3 dengan E-kadherin. Metode yang digunakan adalah dinamika molekul (DM) dan molecular docking. Hasil penelitian menunjukkan bahwa peptida siklik ADTC3 (Ac-CADTPC-NH2) hasil simulasi 20 ns (20.000 ns) berinteraksi kuat dengan domain EC1 E-kadherin dengan energy binding sebesar -31,55 kJ.mol -1 dan tetapan inhibisi Ki sebesar 2,96 µM pada konformasi ke-4487. Interaksi yang kuat ini diperkirakan sebagai daya penggerak memodulasi junction antar sel. Interaksi antara ADTC3 dengan E-kadherin terjadi pada situs residu Ekadherin Asp1, Trp2, Val3, Ile4, Lys25, Met92 yang berada pada daerah adhesion armacceptor pocket.

An experimental and computational study was carried out for encapsulation of vitamin C in sesame, Sesamum indicum L., liposomes. Based on computational studies, the packing parameter (P) of sesame phospholipids was found to be 0.64 ± 0.09. This indicates that the molecular shape of sesame phospholipids is in the form of truncated cone and, in aqueous solution, it self-assembles to form liposomes. In the liposomes, no chemical interaction was observed between phospholipid molecules and vitamin C. However, medium-strength hydrogen bonds (Ei) from -87.6 kJ/mol to -82.02 kJ/mol with bond lengths ranging from 1.746 Å to 1.827 Å were formed between vitamin C and phospholipid molecules. Because of this weak interaction, vitamin C gets released easily from the inner regions of liposome. Empirical experiments were performed to confirm the computation outcomes, where sesame liposomes were found to encapsulate almost 80% of vitamin C in their interior cavities. During the 8 days storage, release of vitamin C occurred gradually from the liposome system, which signifies week interactions in the liposome membranes amongst phospholipid molecules and vitamin C.

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