Judul: Angiotensin I-Converting Enzyme (ACE) Inhibition Mechanism of Novel Peptides from Velvet Bean: An In Silico Study
Abstrak: Velvet bean (Mucuna pruriens) peptides are potential ACE inhibitors. This study aimed to identify peptides from velvet bean protein hydrolysate which contribute significantly to ACE inhibitory activity and predict its inhibition mechanism. LC-MS analysis was conducted to identify peptide sequences. Molecular docking was performed to screen for potential ACE inhibitory peptides. Based on the resulting docking scores, four peptides (P1 - EQPRPYPYPRP, P2 - FCRFGVLKV, P3 - QTDEYGNPVHRS, P4 - QTDEYGNPVHR) were selected. Binding mode analysis showed that ACE inhibition by the novel peptides was a combination of competitive and noncompetitive. P1 and P3 were hypothesized to be competitive inhibitors which were able to coordinate with the enzyme’s cofactor (i.e., Zn2+), whereas P2 and P4 were hypothesized to be noncompetitive inhibitors as they were only able to form hydrophobic networks with the binding channels and were unable to coordinate with Zn2+. Furthermore, molecular dynamics simulations demonstrated slight changes in the conformation of the enzyme as a result of peptide binding, confirming the novel velvet bean-based peptides as ACE inhibitors.
Keyword: ACE inhibitor, bioactive peptides, in silico, molecular docking, velvet bean

Judul: Skrining Bioaktivitas dan Penambatan Molekuler Secara In Silico Peptida   Baru dari Protein Ikan Bandeng (Chanos chanos)
Abstrak: In silico approaches integrated with bioinformatics tools have created more efficient and robust methods to overcome current challenges in developing bioactive molecules discovery. Virtually extracted peptides from milkfish (Chanos chanos) are predicted to exhibit antihypertensive and antidiabetic activity from this in silico study. This study aimed to analyze the bioactivity and physiochemical properties of peptides from hydrolyzed protein sequences and to discover the potential angiotensin-converting enzyme (ACE) and Dipeptidyl peptidase-4 (DPPIV) inhibitory of novel peptides from milkfish (Chanos chanos) using machine learning based tools. Nine peptides were predicted to have ACE inhibitor activity and three to be DPPIV inhibitors. The tetra-peptides of ACE-inhibitory peptides (MVWH and PPPS) were predicted to possess a competitive mode of ACE inhibitor by directly binding to the Zn-ion tetra-coordinate. The DPPIV inhibitor peptides are predicted to inhibit the DPPIV but with no known specific mode of inhibition. PPPS peptide is the only peptide in this study that satisfied the drug-likeness analysis with no violations of the Lipinski rule of five.
Keyword: ADME analysis, bioactive peptides, in silico, molecular docking

Judul: Model Proyeksi Demografi Uniradix Multistate dan Aplikasinya Dalam Status Perkawinan
Abstrak: Demografi multistate merupakan pemodelan penduduk dengan transisi aolar slale, yaitu transisi aolar status sosia! yang dialami individu-indiviclu selring dengan perubahan \Vakiu. Pergerakan transisi ini dipengaruhi oleh faklar pendidikan. ekonomi. dan pemikahan. Transisi status sosial ini dapa! terjadi dalam satu wilayah, dua wilayah stau lebih
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