Sciences of Phytochemistry

Ida Ayu Manik Damayanti, Nadya Treesna Wulansari, Ni Wayan Kesari Dharmapatni, Ni Wayan Sukma Antari

Balinese grape (Vitis vinifera L. var. Alphonso Lavallee) is a local grape variety containing various phytochemical constituents. Fermentation into kombucha using a symbiotic culture of bacteria and yeast (SCOBY) may alter the chemical composition of the substrate through microbial metabolic activity. This study aimed to characterize the metabolite profile of Balinese grape kombucha using Gas Chromatography-Mass Spectrometry (GC-MS). GC-MS analysis detected several chemical constituents, including fatty acid esters, alkaloids, and terpenoid hydrocarbons. The major compounds identified based on mass spectral library matching were 9-Octadecenoic acid methyl ester (E)-, acetic acid n-octadecyl ester, caffeine, and 2, 6, 10, 14, 18, 22-tetracosahexaene, 2, 6, 10, 15, 19, 23-hexamethyl-, (all-E)-. These results describe the metabolite profile detected in the fermented sample and indicate changes in chemical composition following kombucha fermentation. The findings provide preliminary information on the chemical constituents of Balinese grape kombucha and may serve as a basis for further studies involving comparative analyses with unfermented substrates and confirmation of compound identities using complementary analytical approaches.

Sciences of Phytochemistry

Nadya Treesna Wulansari, Ni Wayan Kesari Dharmapatni, Ida Ayu Manik Damayanti, Ni Made Raningsih

Buni fruit (Antidesma bunius) is a fruit commonly found in tropical countries such as Indonesia. This fruit has the potential to be developed into kombucha tea because it contains beneficial bioactive compounds. However, the use of buni fruit as kombucha tea remains very limited and has not been studied in depth. The objective of this study was to identify and characterize the volatile compounds in buni fruit kombucha using GC-MS. This study employed a descriptive experimental design to analyze the volatile compounds in buni fruit kombucha after 8 days of fermentation using GC-MS. Buni fruit kombucha fermented for 8 days produced a dark purple color. Based on the analysis of volatile compounds, buni fruit kombucha was identified as containing 30 volatile compounds. The dominant compounds were hexadecanoic acid methyl ester, hexadecanoic acid ethyl ester, 9-octadecenoic acid methyl ester, (E)-9-octadecenoic acid ethyl ester, octadecanoic acid ethyl ester, eicosanoic acid ester, and docosahexaenoic acid methyl ester, which are classified as fatty acid esters and lipids. Additionally, the identified alcohol compounds are patchouli alcohol and 13-tetradecen-11-yn-1-ol. Buni fruit kombucha tea undergoes chemical transformations characterized by the formation of volatile compounds such as esters, alcohols, and fatty acid derivatives as a result of microbial metabolic activity. The profile of the resulting compounds highlights the important role of biotransformation during fermentation in shaping the sensory characteristics and bioactive potential of kombucha tea.

Sciences of Phytochemistry

Athira Prameela, Thenmozhi Krishnasamy

The present research discusses the phytochemical composition, anti-inflammatory, antidiabetic, and antiproliferative efficacy of Vincetoxicum capparidifolium leaf aqueous extract. Phytochemical characterization was performed using FTIR and LC-MS analysis. Network pharmacology was employed to identify potential molecular targets of tylophorine associated with liver associated disorders, followed by molecular docking studies. Anti-inflammatory activity and antidiabetic potential was evaluated in vitro. Cytotoxic outcomes were determined using MTT assay on HepG2 cells, along with AO/EtBr staining and DNA fragmentation analysis. FTIR investigation disclosed the occurrence of various functional groups, incorporating hydroxyl, amine, aromatic, and heteroatom-containing moieties. LC-MS profiling categorized a total of 28 compounds belonging to alkaloids, flavonoids, phenols, and fatty acid derivatives. Network pharmacology analysis identified 94 intersecting targets of tylophorine with liver inflammation, diabetic liver disease, and end-stage liver disease, while molecular docking showed binding affinities of tylophorine with proteins, presenting the strongest interaction with 3HHM (-8.9 kcal mol^-1). The extract produced concentration-dependent inhibition of protein denaturation (9.5-68.0%), proteolytic activity (10.3-71.7%), and erythrocyte lysis (10.6-70.2%) although its activity was lower than the reference drug, aspirin. The extract also displayed inhibition of α-amylase and α-glucosidase, with greater potency against α-glucosidase (IC₅₀=99.6 µg mL^-1). The cytotoxic activity evaluated using MTT assay supported reduction in HepG2 cell viability (IC₅₀=168 µg mL^-1). AO/EtBr staining revealed increased apoptotic features, including membrane damage and nuclear condensation, while DNA fragmentation analysis verified apoptosis-mediated cell death. Overall, V. capparidifolium exhibits notable in vitro anti-inflammatory, antidiabetic, and cytotoxic potential, highlighting its potential as a source of bioactive compounds for further pharmacological investigations.

Sciences of Phytochemistry

Abhinav Maniyeri, Karthika Krishnamoorthy

The demand for efficient antiviral treatments that go beyond traditional treatment, whose effectiveness may be compromised by viral changes and documented adverse effects following immunization, has increased due to the quick and ongoing introduction of SARS-CoV-2 variations. In this regard, a potential class of natural chemicals for SARS-CoV-2 medication development is plant-derived alkaloids, which are known for their broad-spectrum antiviral qualities. This research employs network pharmacology, gene ontology, and molecular docking to find effective alkaloid candidates that can target conserved viral proteins across SARS-CoV-2 variations. 5 bioactive alkaloids were screened against three key coronavirus proteins—2AJF (spike RBD–ACE2 complex), 2DD8 (spike RBD-neutralizing antibody complex), and 2J98 (replication-associated nsp9 protein). Binding affinities ranged from -6.0 to -11.3 kcal/mol, with Manzamine A emerging as the strongest inhibitor across all targets (2AJF: -11.3, 2DD8: -10.0, 2J98: -9.1 kcal/mol). Its stable hydrogen-bonding network and interactions with key amino acids suggest strong potential to disrupt viral entry, immune evasion mechanisms, and replication processes. Network pharmacology revealed 5, 272 SARS-CoV-2 associated genes, of which 51 overlapped with alkaloid-related targets. Venn analysis identified 6 shared genes, and protein-protein interaction (PPI) network construction highlighted critical hub regulators like MTOR, AKT1, STAT3, SYK, CASP3, and JAK2 implicated in immune modulation, apoptosis, inflammation, and viral pathogenicity. The combined computational approach identifies Manzamine A as a promising natural scaffold for anti-SARS-CoV-2 drug development. Experimental validation through in vitro, in vivo, MD simulation and pharmacokinetic research is still necessary to show clinical application, even though the results provide insightful information for future therapeutic design.

Sciences of Phytochemistry

Poro David Clark

This study aimed to optimize phenolic antioxidant extraction from Polyalthia longifolia leaves using hot maceration with 70% ethanol and to characterize the extraction kinetics under optimal conditions. Response surface methodology was used to evaluate the effects of extraction time and temperature on extraction yield, total phenolic content (TPC), and ferric reducing antioxidant power (FRAP). Both factors significantly influenced all responses, with the extraction yield and TPC increasing progressively with temperature and time. FRAP, however, exhibited a dome-shaped response, peaking at intermediate temperatures before declining under prolonged high-temperature conditions, consistent with the thermal degradation of heat-labile antioxidants. The highest phenolic recovery and antioxidant activity were achieved at the upper boundary of the experimental domain, suggesting that the true optimum may lie beyond the conditions tested. Kinetic analysis further revealed that antioxidant-active compounds were mobilized faster than the bulk extractable mass, with implications for reducing extraction time and energy consumption at scale. These findings provide a statistically guided and kinetically informed foundation for the valorization of Polyalthia longifolia leaves, supporting future process optimization across broader solvent systems and extraction techniques for functional food and nutraceutical applications.

Sciences of Phytochemistry