eng Oriental Scientific Publishing Company Biomedical and Pharmacology Journal 0974-6242 2025-03-31 18 1 929 938 10.13005/bpj/3141 64955 article Jerylle Joie Bautista 1 Cherry Mae Delos Santos 1 Jherby Kyle Teodoro 1 Dyanne Jane Cid Duldulao 1 Natural and Applied Sciences Department, Nueva Ecija University of Science and Technology, Cabanatuan City, Philippines Dengue fever has become a significant public health concern in recent years due to its high morbidity and notable mortality rates. This study intends to explore the potential inhibitory effects of phytochemicals derived from well-known toxic and medicinal alkaloid metabolites against the Non-structural Protein-1 (NS1) of the Dengue virus serotype 4 (DENV4). The DENV4-NS1 protein plays a crucial role in the replication and maturation of the virus within host cells. For this investigation, 20 alkaloids and 3 commercially available drug candidates targeting the Dengue virus were selected. The three-dimensional structure of DENV4-NS1 was chosen based on a literature review and identified in related research. The drug-likeness of the selected compounds was assessed through Absorption, Distribution, Metabolism, and Excretion (ADME) analysis, and their compliance with Lipinski's Rule of Five (RO5) was evaluated using the SwissADME web tool. The drug-likeness prediction results indicated that 19 out of the 20 alkaloids exhibited promising pharmacological properties. These alkaloids were then docked with DENV4-NS1 using AutoDock Vina, and 8 of them displayed stronger and more stable binding interactions than the model drugs (binding affinity ≤ -8.1 kcal/mol), suggesting their potential as DENV4-NS1 inhibitors. This study also highlights the novel inhibitory activity of Lobeline against the dengue virus. In conclusion, the 19 phytochemicals identified in this study demonstrate significant inhibition potential against Dengue Virus 4 and warrant further exploration in drug development research. https://biomedpharmajournal.org/vol18no1/inhibitory-action-of-selected-alkaloids-targeting-the-non-structural-protein-1-ns1-of-dengue-virus-type-4-denv4-in-silico/ Alkaloids antiviral AutoDock Vina dengue virus in silico molecular docking