HerbalDB 2.0: Optimization of Construction of Three-Dimensional Chemical Compound Structures to Update Indonesian Medicinal Plant Database
Rezi Riadhi Syahdi, Jasmine Tiara Iqbal, Abdul Mun’im, Arry Yanuar · Pharmacognosy Journal · 2019
A client computer with this following specification: Dell with Intel CoreTM i3-7100U (Intel CoreTM, USA) Computer Processing Unit (CPU), 8GB RAM with Microsoft Windows 10 Home Single Language 64-bit operating system. SoftwareThe software used in this research are MarvinSketch (ChemAxon, Budapest), 7 VegaZZ 3.1.1.42(Universita Degli Milano, Italy), 8 and PyMOL (DeLano Scientific LLC, Italy).9 3D structuresThree-dimensional structures of chemical compound were obtained from Herbal Database (Biomedical Computation and Drug Design Laboratory, Universitas Indonesia).6 2D Reference structuresTwo-dimensional reference structures were obtained from Kanaya KNApSAcK (http://kanaya.naist.jp/