Mohammad Kuntadi Syamsul Hidayat, Kusworini, Achmad Rudijanto, Sutiman Bambang Sumitro
Objective: The objective of the study was to investigate the potential of biological activities from chemical compounds of Nigella sativa (NS) as anti-osteoporosis using the computational chemistry Insilco study. Methods: Database search from KnapSack was conducted to find out NS active compounds. Next, explore using the PASS Server database to find out compounds that have anti-osteoporosis potential. Exploration with STITCH to analyze the interaction of NS active compounds with cell proteins related to antiosteoporosis, then docking using PyRx to determine the bond affinity that occurs between NS active compounds and cell proteins. Result: There were 36 active NS compounds, 28 of which had antiosteoporosis potential. One active compound that has a probability to be active value (Pa)> 0.7 and 21 active compounds that have Pa: 0.3 - 0.7. Found 6 active compounds that have interactions and play a major role in the anti-osteoporosis process. With the docking process, binding affinity longifolene is obtained with estrogen receptors: -8.2 kcal / mol compared to Bazedoxifene -9.6 kcal / mol Conclusion: From the study of insilico, Nigella sativa has the potential as an anti-osteoporosis. © 2009-2019, JGPT. All Rights Reserved
Faculty of Medicine, University of Brawijaya Malang, East Java, Indonesia; Doctoral Program of Medical Science, University of Brawijaya Malang, East Java, Indonesia; Department of Clinical Pathology, Faculty of Medicine, University of Brawijaya, Malang, Saiful Anwar Public Hospital, Malang, East Java, Indonesia; Department of Internal Medicine, Faculty of Medicine, University of Brawijaya, Malang, Saiful Anwar Public Hospital, Malang, East Java, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, University of Brawijaya Malang, East Java, Indonesia
