International Congress on Medical & Health Sciences 2026

Marine-derived fungi have been regarded as rich and reliable sources of biologically active and chemically novel compounds, which may both directly and indirectly be used as potential lead compounds for drug research and development. In this study, one new discovered 2-pyridone derivative, penicinine C (1), a new phenylhydrazone derivative, penicinine D (2), together with four known compounds, (14β, 22E)-9,14-dihydroxyergosta-4,7,22-triene-3,6-dione (3), ergochrome F (4), nafuredin A (5) and altenusin (6) were isolated and purified from a marine-derived fungus Penicillium sp. MF20218001. Their chemical structures were elucidated through detailed 1D/2D NMR and HRESIMS spectroscopic analysis, computational calculation methods and comparison with previously reported data. Bioactivity assays showed that compounds 1 and 5 exhibited weak activity against Candida albicans with minimum inhibitory concentrations of 50 and 25 μg/mL, respectively.

Two new acylphloroglucinols, hengshanols F and G (1 and 2), were isolated from Hypericum hengshanense, together with nine known phloroglucinol derivatives: dauphinol F (3), 4-geranyl-2-(2′-methylpropionyl)-phloroglucinol (4), 1-[5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-chroman-8-yl]-2-methylpropan-1-one (5), 1-[5,7-dihydroxy-2-methyl-2-(4-methylpent-3-enyl)-chroman-8-yl]-2-methylbutan-1-one (6), empetriferdinan B (7), tomoeone B (8), uraloidin A (9), hyperbeanol P (10), ascyronone G (11). The structures of the two new acylphloroglucinols were determined by 1D NMR (1H, 13C, DEPT), 2D NMR (HMBC, COSY, HSQC), HRMS and electronic circular dichroism (ECD). The structural elucidation revealed that all isolated compounds (1–11) are phloroglucinol derivatives. In cell viability assays, compounds 1, 5, 8, and 9 significantly reduced cell viability. whereas compound 6 promoted ATP production and enhanced mitochondrial activity.

Two new flavonoid glycosides, 5-ethoxy-6-[(E)-2-carboxyethenyl]-acacetin-7-O-α-L-rhamnopyranoside (1) and acacetin-8-C-β-D-canaropyranoside (2), together with two known compounds, apigenin-7-O-β-D-glucopyranoside (3) and acacetin-8-C-β-D-glucopyranoside (4), were isolated from the aerial part of C. trilobus. Their structures were elucidated through a comprehensive analysis of spectroscopic data (1D- and 2D-NMR and HR-ESI-MS). Bioactivity evaluation revealed compound 1 has cytotoxicity against A549 cells (IC50 41.04 ± 2.86 μM) and MDA-MB-231 cells (IC50 33.49 ± 4.28 μM).

Ontogenetic changes in the volatile composition of oil-bearing rose (Rosa damascena Mill.) flowers were investigated at eight developmental stages (HS1–HS8) under semiarid conditions in Mardin, Türkiye. Volatile profiles were analyzed using headspace solid-phase microextraction coupled with gas chromatography–mass spectrometry (HS-SPME-GC/MS). A total of 39 volatile constituents were identified, representing 96–99% of the total volatile profile. Distinct stage-dependent shifts were observed throughout flower development. Monoterpenes predominated at early developmental stages, whereas oxygenated monoterpenes increased markedly during flower maturation. Citronellol reached its highest level at HS8 (25.0%), while geraniol and nerol showed maximum accumulation at HS4 (5.7%) and HS4 (3.2%), respectively. Phenylethyl alcohol increased progressively during flower development and reached 18.7% at HS8. In contrast, sesquiterpenes declined continuously across maturity stages. Farnesol was detected only at mid to late developmental stages and reached its highest level at HS7 (0.4%). Principal component analysis (PCA) explained 81.97% of the total variance and clearly differentiated early, intermediate, and late developmental stages based on volatile composition. Detailed eigenvalues and major loading values are provided in the Supporting Information (Tables S1 and S2). HS7 emerged as the most suitable harvest stage with respect to volatile aroma composition and fragrance-related quality parameters due to its favorable balance of oxygenated monoterpenes and relatively low methyl eugenol levels, consistent with ISO 9842 rose oil specifications. These findings provide a chemical basis for optimizing harvest timing of Rosa damascena flowers cultivated under semiarid ecological conditions.

In this study, a new meroterpenoid, namely paxillene A (1), along with six known compounds (2–7) were isolated from the mushroom Paxillus ammoniavirescens Contu & Dessi. Their structures were established through extensive spectroscopic analyses, including HR-ESI-MS, 1D and 2D NMR. All isolated compounds were evaluated for their anti-inflammatory activity against LPS-induced NO production in RAW 264.7 macrophages. Compound 1 exhibited moderate inhibitory activity with an IC50 value of 38.55 ± 3.72 μM.

A new piperazine alkaloid (1) and a new selaginellin derivative (2), along with six known compounds, selaginellin T (3), selaginellin D (4), selaginellin (5), selaginellin B (6), selariscinin C (7), and selaginpulvilin D (8), were isolated from Selaginella sanguinolenta. The structures of two new compounds were identified by UV, 1D, 2D NMR and HR-ESI-MS spectrum. Compound 1 represents the first natural product with a piperazine ring and a sulfonic acid group. Among these compounds, compound 2 exhibited moderate cytotoxicity against both HepG2 and H1975 cell lines, with IC50 values of 94.07 and 130.1 μM, respectively. Notably, compound 3 demonstrated more potent cytotoxicity against HepG2 cells, with an IC50 value of 41.97 μM, while the remaining compounds demonstrated no appreciable activity under the tested conditions.

The most terrifying cardiac complication of Trypanosoma cruzi infection is Chronic Chagasic Cardiomyopathy (CCC), which is the complication that occurs in about one-third of the infected individuals and is one of the major causes of non-ischemic heart failure in Latin America. Although fairly disease-burdening, the molecular pathways of CCC immunopathology are not fully studied, and disease-modifying therapy is currently lacking. This study used an integrative computational strategy involving RNA-seq transcriptomics, protein-protein interaction (PPI) network analysis, gene ontology and KEGG pathway enrichment, molecular docking, ADMET profiling, and molecular dynamics simulations to define the host immune transcriptional environment of CCC and determine which phytochemicals may regulate its major regulation targets. RNA-seq analysis of severe CCC cardiac tissue compared to healthy controls (GEO: GSE191081) found 2,973 significantly differentially expressed genes (DEGs), 2,239 of which were upregulated, and 734 of which were downregulated. The analysis of functional enrichment showed that the upregulated genes were most linked to T cell activation, antigen receptor-mediated signaling, cytokine production, and MHC complex assembly, whereas downregulated genes were enriched in potassium ion transport, sarcoplasmic reticulum functioning and cardiomyocyte survival pathways. Multi-algorithm hub gene analysis with cytoHubba on PPI networks revealed 5 core regulatory genes, including CD4, PTPRC, CD8A, IFNG and FCGR3A, that were invariably within the top five network topologies of all five topological models (Degree, MCC, MNC, Closeness, and EPC). Among them, CD8A (PDB: 1CD8) and PTPRC (PDB: 1YGR) were chosen to be screened virtually against 110 drug-like phytochemical compounds of Schinus molle downloaded in the IMPPAT database with and without structure. The highest-ranking compound found in molecular docking relative targeting PTPRC (−7.70 kcal/mol) and CD8A (−6.94 kcal/mol), IMPHY006486, was also found to have strong binding affinities with diverse interactions with the essential active site residues, such as Ser928, Gln882, Phe890 (PTPRC) and Thr30, Phe48, Tyr51 (CD8A). Favorable pharmacokinetic properties of the lead compounds including high intestinal absorption, lack of risk of CYP-mediateddrug interaction and negative AMES mutagenicity were confirmed by ADMET profiling. All four protein-ligand complexes were found to be structurally stable at 100 nanoseconds in molecular dynamics simulations, with moderate backbone RMSD (1.52–2.82 A), maintained components of secondary structure, and maintained protein-ligand interaction fractions over the trajectories. Such results indicate that IMPHY006486, IMPHY004111, and IMPHY003082 emerged as computationally prioritized candidates for further experimental evaluation as potential modulators of CD8A and PTPRC. They should be validated experimentally to demonstrate their therapeutic potential. This is a systems-level and structure-based study that points out important immune hubs in the development of CCC pathogenesis and shows how combined transcriptomics and molecular modeling can identify immunomodulatory candidates faster in the context of Chagas heart disease.