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The emergence of antimicrobial resistance has led to an urgent need for novel antimicrobial drugs. This study aimed to determine the antioxidant and antimicrobial potentials in silico and in vitro of Pandanus amaryllifolius Roxb. ethanolic extract. The extracts were subjected to gas chromatography-mass spectrometry (GC-MS) analysis to identify the compounds. In silico antimicrobial studies were performed to gain insights into the possible mechanism of action of the active compounds as antimicrobials. The antimicrobial activities of the ethanolic extracts were assessed using the agar well diffusion method against the Surabaya strain of Escherichia coli and Staphylococcus aureus. Antioxidant properties of the extract were done using DPPH (2,2-diphenyl-1-picryl-hydrazyl-hydrate) and ABTS [2,2'-azino-bis (3-ethylbenzthiazoline-6-sulphonic acid)] inhibition assays. The phytochemical screening revealed that the extract has high flavonoids and polyphenols contents. The GC-MS analysis detected the presence of 52 bioactive substances, with n-hexadecanoic acid, 9, 12, 15-octadecatrienoic acid, benzofuran 2,3-dihydro-. quinic acid, neophytadiene as major compound. Molecular docking studies showed that these compounds have a high binding affinity towards the target proteins, thereby inhibiting their activities. The ethanolic extract of P. amaryllifolius Roxb. exhibited antioxidant and antimicrobial activities. The IC50 were 11.96 ± 4.01 μg/ml and 26.18 ± 7.44 μg/ml for DPPH and ABTS. The diameters of inhibition zones (DIZ) and percentage of inhibition (PI) were calculated and varied for every single pathogen 16.44 ± 1.21mm/66.76 ± 4.92% (50%) and 21.22 ± 0.11mm/82.49 ± 3.91% (50%) for E. coli and S. aureus (DIZ/PI) respectively. Overall, this study provides information on the mechanism responsible for P. amaryllifolius Roxb. extract as a natural antimicrobe and lays the foundation for further studies to isolate and characterize the active compounds as antimicrobial candidates. [ABSTRACT FROM AUTHOR]

Dengue virus (DENV) is still global problem and infecting millions of people a year. This virus belongs to Flavivirus and consists of the structural and non-structural proteins including envelop (E), capsid (C), NS2B/NS3, and NS5. Garcinia atroviridis Griff. ex T. Anders is traditional plant that has broad potential as antioxidant, antibacterial, and anti-cancer activities. However, the anti-DENV potential of this plant is uncertain. The objective of this research is to find out the potential of the phytochemical compounds of G. atroviridis as DENV antiviral drugs targeting E, C, NSB2/NS3, and NS5 proteins using molecular simulation approach. Sample retrieval was obtained from PubChem and RCSB PDB. Drug- likeness analysis has been assessed with Swiss ADME based on the pharmacology and pharmacokinetics aspects. Toxicity prediction was done by pkCSM webserver. PyRx was carried out to screen ligand-protein interaction virtually. Visualization of the best interaction was displayed by BIOVIA Discovery Studio. CABS-flex 2.0 version webserver was performed to predict stability interaction. Atroviridin was determined as the most promising as DENV antiviral to be tested by the wet laboratory approach. [ABSTRACT FROM AUTHOR]

There are no specific drugs or vaccines for Nipah virus (NiV), which is a new Paramyxovirus that infects swine and humans. This study was conducted to investigate B-cell epitope mapping of the NiV attachment glycoprotein and to construct peptide-based vaccine candidates using the reverse vaccinology approach. To generate the linear B-cell epitope, the NiV isolates were extractad from GenBank, NCBI, using the IEDB web server; peptide modeling was conducted using PEP-FOLD3; docking was conducted using PatchDock and FireDock; and in silico cloning was designed using SnapGene. Various peptides were successfully identified from the NiV attachment glycoprotein based on B-cell epitope prediction, allergenicity prediction, similarity prediction, and toxicity prediction. An in silico cloning design of the pET plasmic was also developed. The peptide "RFENTTSDKGKIPSKVIKSYYGTMDIKKINEGLLD" (1G peptide) is predicted to be a potential candidate for the NiV vaccine as it has several good vaccine characteristics. It increases the immune response of B cells through activation, differentiation into plasma cells, the formation of memory cells, and it may increase IgM/IgG antibody titres for viral neutralization. However, the results of this study should be further verified through in vivo and in vitro analyses. [ABSTRACT FROM AUTHOR]

Dengue is a major public health threat worldwide, affecting approximately 3 billion people. More than 100 countries in the world located in tropical and subtropical areas, there are at least 100 to 400 million people infected with the dengue virus which causes dengue hemorrhagic fever (DHF). Soluble Non Structural Protein (sNS1) DENV is a soluble NS1 protein that is secreted and found in the serum of patients during acute infection. Because of its presence early in infection, sNS1 is used as a diagnostic indicator of acute dengue infection. NS1 can directly activate platelets through TLR4 and can further increase platelet aggregation, endothelial cell adhesion, and phagocytosis by macrophages that can cause thrombocytopenia so that high sNS1 levels are associated with disease severity. From the results of the study showed p <0.05. This indicates that there is a correlation between the presence of NS1 and the severity of dengue infection. [ABSTRACT FROM AUTHOR]

Cancer is one of the diseases that is the highest cause of death in humans. Most human cancer cells are formed as a result of over-expression of anti-apoptotic proteins. Thus, the activation of these proteins can inhibit pro-apoptotic proteins, then apoptosis will be inhibited so that other apoptotic pathways need to be activated to prevent cancer cells from developing. Current cancer treatments, such as chemotherapy using synthetic compounds, have various side effects, so research on natural based therapies can be used as an alternative in cancer treatment. Curcuma sumatrana is one of the plants of the Zingiberaceae family which is an endemic plant from Sumatra which is found along the Bukit Barisan. The research was carried out in silico by analyzing the potential bioactivity of the compounds, testing the bioavailability, toxicity, and molecular docking of the bioactive compounds from the ethanol extract of the rhizome of C. sumatrana which had been previously identified through gas chromatography-mass spectroscopy (GCMS) analysis. The results obtained that the compound 9-Acetyl-S-octahydrophenanthrene and 3-Oxoandrosta-1,4-dien-17.beta.-spiro-2'-3'-oxo-oxetanecontained in C. sumatrana has the potential to be developed as an anticancer where the compound has good bioavailability value and is not toxic and potentially can trigger apoptosis. However, the results of this study need to be analyzed further with an in vitro or in vivo approach. [ABSTRACT FROM AUTHOR]

Conventional chemotherapy substances are associated with mild to severe side effects that affect both healthy and cancer cells. It is presumed to improve therapeutic efficacy in coexistence reducing chemotherapy's side effects. Fucoidan is an anticancer bioactive compound derived from Sargassum sp. that has low cytotoxic activity. The purpose of this study was to explore the effectiveness of anticancer activities of fucoidan from Sargassum sp. against breast cancer then analyze the suitability of nano transdermal patch of fucoidan and blueprint the long-term research design of nano transdermal patch as a chemoprevention agent in the chemotherapeutic management of breast cancer. This research was performed through a literature study and in silico study by imposing carbonic anhydrase IX (CA IX) as a marker of hypoxia and metastatic state of cancer cells. The results showed that the fucoidan from Sargassum sp. effectively induced apoptosis and prevented metastasis of breast cancer cells through the Bcl-2, Bcl-w, and bad pathways. Fucoidan, in addition, was predicted to inhibit CA IX by Glu4 Glu5, Leu7, Pro8, and Asp6 residues. Therefore, the delivery of fucoidan is favored to have a local effect on the site of breast cancer cells by nano transdermal patch preparations using fucoidan nanoparticle polymer. Further nano transdermal patch development as a treatment for breast cancer is suggested through the stages of formulation optimization, optimum formula activity testing, patent filing, and distribution in health services. [ABSTRACT FROM AUTHOR]