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Green algae Caulerpa racemosa compounds as antiviral candidates for SARS-CoV-2: In silico study Tassakka, Asmi CMAR.; Iskandar, Israini W.; Juniyazaki, Andi BA.; Zaenab, St; Alam, Jamaluddin F.; Rasyid, Haerani; Kasmiati, Kasmiati; Sinurat, Ellya; Dwiany, Fenny M.; Martien, Ronni; Moore, Abigail M.
Narra J Vol. 3 No. 2 (2023): August 2023
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v3i2.179

Abstract

Green algae (Caulerpa racemosa) are known to contain bioactive compounds which are hypothesized to have antiviral activities against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the causative agent of coronavirus disease 2019 (COVID-19) pandemic. The aim of this study was to analyze the anti-SARS-CoV-2 potential of compounds extracted from the green alga Caulerpa racemosa using in silico analysis. The extract was obtained through maceration with 96% ethanol and the compounds present in the extract were identified through gas chromatography-mass spectroscopy (GC-MS). The binding affinities were analyzed in silico using the PyRx application and visualized in the PyMOL software. GC-MS analysis of Caulerpa racemosa extract showed 92 spectral peaks, each of which was assigned to a bioactive compound. Of the six compounds with a strong binding affinity, n-[1-(1-adamantan-1-yl-propyl)-2,5-dioxo-4-trifluoromethyl-imidazo lidin-4-yl] 4-methoxy-benzamide had the lowest score (-8.1 kcal/mol) against the SARS-CoV-2 3C-like protease binding site, similar with that of remdesivir. The molecular dynamics calculations demonstrated that root means square deviation values of the selected inhibitors remained stable throughout a 15-nanosecond simulation. In conclusion, the in silico analysis suggests that Caulerpa racemosa extract is a potential antiviral candidate against SARS-CoV-2.
Computational drug repurposing for tuberculosis by inhibiting Ag85 complex proteins Iskandar, Israini W.; Nurhasanah, Astutiati; Hatta, Mohammad; Hamid, Firdaus; Handayani, Irda; Chaera, Ummi; Yusriyyah, Andi A.; Jamaluddin, Balqis D.; Zaenab, St; Hidayah, Najdah; Karimah, Nihayatul; Permana, Andi D.; Massi, Muhammad N.
Narra J Vol. 5 No. 1 (2025): April 2025
Publisher : Narra Sains Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52225/narra.v5i1.1130

Abstract

Tuberculosis (TB) remains a significant and deadly infection among pulmonary diseases caused by Mycobacterium tuberculosis, a highly adaptive bacterium. The ability of M. tuberculosis to evade certain drugs has been linked to its unique structure, particularly in the cell envelope, where the Ag85 complex proteins play an essential role in this part.  The aim of this study was to utilize a drug repurposing strategy targeting the Ag85 complex proteins. This study utilized a computational approach with 120 selected drugs experimentally identified to inhibit Tuberculosis. A virtual screening molecular docking with Autodock Vina was used to filter the compounds and identify the strong binders to the Ag85 Complex. Molecular dynamics simulations employed the Gromacs Packages to evaluate the stability of each complex, including root mean square deviation (RMSD), root mean square fluctuation (RMSF), and radius of gyration (RoG). Additionally, absorption, distribution, metabolism, excretion, and toxicity (ADMET) assessments were conducted to gather more information about the drug-likeness of each hit compound. Three compounds, selamectin, imatinib, and eltrombopag were selected as potential drugs repurposed to inhibit the activity of the Ag85 complex enzyme, with binding affinities ranging between -10.560 kcal/mol and -11.422 kcal/mol. The MD simulation within 100 ns (3 replicas) showed that the average RMSD of each Ag85A complex was 0.15 nm–0.16 nm, RMSF was 0.09 nm–0.10 nm, and RoG was 1.80 nm–1.81 nm. For Ag85B, the average RMSD was 1.79 nm–1.80 nm, RMSF was 0.08 nm–0.09 nm, and RoG was 1.79 nm – 1.80 nm. Then, for Ag85C, the mean RMSD was 0.16 nm–0.18 nm, RMSF was 0.09, and RoG was 1.77 nm. The study highlights that these promising results demonstrate the potential of some repurposed drugs in combating the Ag85 complex.
Effect of Bioslurry Concentration in Feed on The Growth and Survival of Milkfish (Chanos chanos Forsskal) Zaenab, St; Masriah, Andi; Suryahman, Agus
International Journal of Applied Biology Vol. 6 No. 2 (2022): International Journal of Applied Biology
Publisher : Hasanuddin University

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Abstract

Bioslurry is cow excreta waste processed anaerobically as a nutritional by-product of biogas production, which contains proteins, carbohydrates, fats and minerals. This study aims to determine the concentration of solid bioslurry in feed and the concentration of liquid bioslurry in feed containing solid bioslurry, which is optimal for increasing the growth and survival of milkfish. The results showed that the best feed with a concentration of 50% solid bioslurry resulted in a growth of 100.05 grams ± 6.98 and a survival rate of 96.67% ± 1.15. A significant growth increase in feed with a high bioslurry content indicates that bioslurry contains nutrients capable of increasing growth energy in milkfish. The growth of milkfish continues to increase along with the increasing concentration of bioslurry liquid waste added to the feed as a source of probiotics. Adding 50 ml of liquid bioslurry into 100 grams of feed resulted in the best growth of 165.33 grams ± 2.08. Liquid bioslurry contains probiotic microbial bioactivators and functions to increase growth.
Antidiabetic Activity of Catechin from Cinnamon (Cinnamomun Burmanii) by Inhibiting Alfa Glucosidase Enzyme Zaenab, St; Hasyim, Zohrah
International Journal of Applied Biology Vol. 6 No. 2 (2022): International Journal of Applied Biology
Publisher : Hasanuddin University

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Abstract

Diabetes mellitus (DM) is a chronic disease that occurs when the body experiences insulin resistance. One of the treatment for DM is by inhibiting the performance of the -glucosidase enzyme which is located on the smooth wall. Indonesia is famous for having various types of herbal plants that are often used as traditional ingredients, one of which is cinnamon (Cinnamomun burman II) which has compounds such as catechins that are useful as antioxidants. This research method a docking simulation, the ligand was downloaded in the Pubmed database and the androgen receptor macromolecule was downloaded in the Protein Data Bank (PDB), the ligand structure preparation, the test ligand docking simulation and the comparison uses the pymol,pyrx program, and Lipinski test, toxicity test using the PREADMET program. The results of binding affinity for the test compound, namely catechin compounds, obtained a binding affinity of -8.0 kcal/mol, while the comparative test, metformin, obtained a binding affinity of -3.3 kcal/mol and Lipinski qualifies as non-carcinogens but can be mutagens. These results indicate that catechin compounds have greater inhibition on alpha glucosidase receptors that cause type 2 diabetes mellitus compared to metformin compounds.
The Potential of Seaweed Gracilaria sp. as An Organic Waste Bioremediation Agent. Khatimah, Khusnul; Sompa, Andi; Haerunnisa, Haerunnisa; Zaenab, St
International Journal of Applied Biology Vol. 7 No. 1 (2023): International Journal of Applied Biology
Publisher : Hasanuddin University

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Abstract

Increased fishing and agricultural activities trigger eutrophication events in marine waters. Excessive availability of nutrients can cause changes in the composition of community structures in marine ecosystems. Therefore an effort is needed to mitigate the eutrophication process in coastal and marine areas by increasing the nutrient partition coefficient in compartments that can absorb or consume these nutrients such as macroalgae or seaweed. The aim of this study was to determine the absorption capacity of nutrients (N and P) from Gracilaria sp. Seaweed as a mitigating agent for eutrophication in waters. This research was conducted in October–November 2018 in a controlled manner at the PUI-P2RL Wet Laboratory, Hasanuddin University. Seaweed maintenance media is intensive pond wastewater that has gone through a filtering and sterilization process. The results showed that Gracilaria sp. able to absorb nutrients in the form of NH3, NO2 , NO3 and PO4. Gracilaria sp. able to reduce NO3 by 0.840 ± 0.065 μg/l/day, NO2 by 2.100 ± 0.609 μg/l/day, NH3 by 1.506 ± 0.204 μg/l/day and PO4 by 8.756 ± 2.785 μg/l/day.
The Status of Diversity of Coral Reefs and Reef Fish Supporting Marine Tourism on Kodingareng Keke Island, Makassar City Daris, Lukman; Massiseng, Andi Nur Apung; Jaya, Jaya; Wahyuti, Wahyuti; Zaenab, St
International Journal of Applied Biology Vol. 7 No. 1 (2023): International Journal of Applied Biology
Publisher : Hasanuddin University

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Abstract

This study aimed to determine the potential diversity of the coral reef and coral reef fish ecosystems of Kodingareng Keke Island and the development strategies and priorities of Kodingareng Keke Island as a marine tourism destination. This research used purposive sampling with 50 respondents. The coral data collection method was Line Intercept Transect (LIT), with a transect line length of 50 meters and depth of 5 meters. The process used to obtain coral reef fish data was the Underwater Visual Census (UVC). The analysis showed that the average coral ranged from 63,6% to 77,8%. The average abundance of fish at 3 observation stations, namely Station I (17,65%), station II (14,78%) and Station III (18,67%), thus it can be concluded that this location is feasible for snorkelling and diving tourism. The priority programs for the development of the marine tourism area of Kodingareng Keke Island include increasing supervision, creating periodical Object Development Master Plans (RIPO), implementing local regulations on the use of coastal resources, involving local communities, the general public and the government in nature conservation activities, setting labour standards and improving the quality of local human resources through training.