Ma’arif, Burhan; Fitri, Hilwa; Saidah, Nisfatul Lailatus; Najib, Luqman Alfani; Yuwafi, Achmad Hamdan; Atmaja, Ria Ramadhani Dwi; Inayatillah, Fidia Rizkiah; Dianti, Meilina Ratna; Laswati, Hening; Agil, Mangestuti published the artcile< Prediction of compounds with antiosteoporosis activity in Chrysophyllum cainito L. leaves through in silico approach>, Name: 2,2′-(Tridecylazanediyl)diethanol, the main research area is Chrysophyllum antiosteoporosis leaf phytoestrogen; Chrysophyllum cainito L.; antiosteoporosis; in silico; phytoestrogen.
The aims of this study were to analyze the metabolite profiling results of various extract of Chyrsophyllum cainito L. leaves, which contain phytoestrogen, through in silico study against 3OLS protein, an X-ray protein of ERβ, so it can predict the types of the phytoestrogen contents which have antiosteoporosis property. In silico anal. was carried out for the compounds from the metabolite profiling data of C. cainito leaves from our previous study. The structure compounds from metabolite profiling results of various extract of C. cainito leaves were prepared with Avogadro 1.0.1 software, mol. docking was done using PyRx 0.8 software, and Biovia Discovery Studio Visualizer 2016 software was used to visualize the structure of compounds against 3OLS protein. The physicochem. characteristics of the compounds were analyzed using the SwissADME web tool. It was known that there were total 11 compounds in C. cainito leaves that predicted as phytoestrogens which have ERβ agonist properties against 3OLS protein. The ERβ agonist was a compound that has parameters similar to 17β-estradiol in its interaction with 3OLS protein, which has a pharmacophore distance of 10.862 Å, and binding to amino acids His 475 and Glu 305 or Arg 346 at receptor-ligand docking simulation. C. cainito leaves contain 11 compounds that are predicted to be phytoestrogens with ERβ agonist properties, which is responsible for antiosteoporosis activity.
Journal of Basic and Clinical Physiology and Pharmacology published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 18312-57-7 belongs to class ethers-buliding-blocks, and the molecular formula is C17H37NO2, Name: 2,2′-(Tridecylazanediyl)diethanol.
Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem