@article {1002, title = {Establishment of a 3D-structure Database for Chemical Compounds in Indonesian Sponges}, journal = {Pharmacognosy Journal}, volume = {11}, year = {2019}, month = {October 2019}, pages = {1211-1218}, type = {Original Article}, chapter = {1211}, abstract = {

Objective: Nowadays, There hasn{\textquoteright}t any three-dimensional (3D) chemical structure database yet for biologically active compound in sponges from Indonesian origin. Therefore, this study aimed to create in silico a 3D-structure database of such compound and to evaluate the preferred software for this purpose. Methods: 2D- structure of selected compounds was established using MarvinSketch software. Conversion from 2D- into 3D-structures was evaluated by comparing MarvinSketch, OpenBabel and VegaZZ software packages. Visualization of the respective 3D-structures was perfomed by using PyMOL software. From 68 scientific articles, 212 chemical compounds were selected from 53 Indonesian sponge species. Results: The conversion of 2D-structures of the selected 212 chemical compound into 3D-structures lead to 7118 files, respectively consisting of 2508 files from the MarvinSketch, 1672 files from the OpenBabel and 1051 files from the VegaZZ software. The results based on the extention files were 1043 SDF, 1258 MOL and 2930 PDB format files of the three-dimensional structure. The valid and correct three-dimensional structure of chemical compound were 914 .sdf format files, 916 format .mol files and 72 .pdb format files. From the three-dimensional structures visualization, the database prefers established by using MarvinSketch with SDF or MOL format files since the results is consistent to literature and contain less number of errors.

}, keywords = {2D-and 3D-chemical structures, 3D-database of chemical structures, Evaluation of software packages, Indonesian sponges}, doi = {10.5530/pj.2019.11.188}, author = {Retno Prihatiningtyas and Rezi Riadhi Syahdi and Masteria Yunovilsa Putra and Arry Yanuar} } @article {683, title = {Antibacterial and Cytotoxic Activities of Sponges Collected off the Coast of Togean Islands, Indonesia}, journal = {Pharmacognosy Journal}, volume = {10}, year = {2018}, month = {August 2018}, pages = {988-992}, type = {Original Article}, chapter = {988}, abstract = {

Context: Marine sponges (Porifera: Demospongia) have astonishing structural diversity and broad biological activities. Aims: To evaluate the antibacterial and cytotoxic activities of five sponges collected off the coast of Togean Islands, Indonesia, identified as Spheciospongia inconstan, Melophlus sarasironum, Oceanapia amboinensis, Biemna sp and Axinella sp. Methods and Material: All dried sponges materials were extracted by maceration method using methanol and then evaporated by the rotary evaporator to obtain viscous extracts. The determination of antibacterial activity was performed by well agar diffusion method against Staphylococcus aureus and Escherichia coli while the cytotoxic activity was determined by MTT methods on human breast adenocarcinoma (MCF-7) and human colon colorectal carcinoma (HCT-116), followed by determination of the apoptosis mechanism by Annexin V-FTIC assay. Results: M. sarasinorum and Axinella sp showed strong inhibition against S.aureus and E.coli with the diameter of inhibition of 14.21 \± 0.92 mm and 14.36 \± 0.92 mm, and 10.01 \± 2.65 mm and 12.07 \± 1.54 mm, respectively. Moreover, they also exhibited potent cytotoxicity on HCT-116 with IC50 values of 0.002 and 8.518 \μg/mL, respectively. Meanwhile, on MCF-7, only M. sarasinorum showed moderate inhibition with an IC50 value of 87.35 \μg/mL. Annexin V-FTIC assay clearly showed that the cytotoxic mechanism of M. sarasinorum and Axinella sp on HCT-116 and MCF-7 was via apoptosis induction. Conclusion: The sponges of M. Sarasinorum and Axinella sp are undergoing further analysis to identify the active constituents which could be developed as potential antibacterial and anticancer agents.

}, keywords = {Antibacterial, Cytotoxicity, MTT, Sponges, Togean Islands}, doi = {10.5530/pj.2018.5.168}, author = {Muhammad Sulaiman Zubair and Subehan Lallo and Masteria Yunovilsa Putra and Tri Aryono Hadi and Ibrahim Jantan} }