Chemistry & Biodiversity最新文献

Phytochemical investigation of the 80% ethanol extract from the seeds of Caesalpinia decapetala (Roth) Alston led to the identification of nine compounds, which included three new cassane-type diterpenoids, caesalpideplins A-C (1-3), and six known analogues (4-9). The structures of 1-3 were determined using a comprehensive analytical method that involved detailed IR, HRESIMS, 1H, 13C, and 2D NMR analyses. The absolute configuration of 1 was established through X-ray single crystal diffraction analysis, while the absolute configurations of 2 and 3 were determined by comparing their calculated and experimental ECD data. Additionally, compounds 3, 4, 5, 7, and 8 demonstrated notable inhibitory activity against the Cav3.1 T-type calcium channel with IC50 values of 23.13, 9.46, 29.53, 34.02, and 24.33 μM, respectively. These results suggest that cassane-type diterpenoids may have potential therapeutic applications for diseases related to the Cav3.1 calcium channel.

Plant microbiomes impact plant life, with fungi's unique characteristics influencing classification. Cultivation technologies influence fungal classification, and research links soil fungi with plant hosts. This study utilizes morphological and phylogenetic methods, along with NGS data from ITS2 secondary structure predicted endophytes, to identify plant leaves using both traditional and high-resolution techniques. Various topology of the study site was examined. Recent ecological studies highlight unculturable taxa, or dark taxa, where many species cannot sporulate or be cultured emphasizing the need for metagenomics approaches. The study gathered 68,791 reads from S. auriculata with 101 OTU's, 58,620 from C. spinosa with 219 OTU'S, and 66,087 from Z. mauritiana with 193 OTU's, with the majority of OTUs were related to Colletotrichum (69%) and a minimum of Ustilago (16%). A total of 49 fungal isolates were obtained from traditional methods, while 513 fungal OTU's were retrieved through metagenomic methods, confirming the presence of a highly abundant fungus population in plant samples. The study reveals that using the ITS short amplicon sequencing technique provides distinct insights into endophytic fungal communities in three plant samples. In conclusion, analysing plant fungal components using a combination of culture dependent and culture independent techniques may be a novel strategy.

Three new ent-atisane diterpenoids, named agallolides N‒P (1-3) together with nine known diterpenoids (4-12) were isolated from the stems and twigs of the mangrove plant, Excoecaria agallocha L. . Various techniques, including high-resolution electrospray ionization mass spectrometry, spectroscopic methods, ¹³C-NMR calculations, DP4+ probability analysis, and equivalent circulating density calculations were applied to determine their molecular structures. The anti-influenza virus activities of 1-12 against A/PR/8/34 (H1N1), ZX1109 (H1N1, oseltamivir-resistant virus), HK68 (H3N2), and B/Florida/78/2015 were evaluated. Compounds 8 and 12 showed significant antiviral activities against those four virus strains with EC₅₀ values ranging from 0.54 to 19.53 µM. Moreover, compound 8 exhibited notable antiviral activity against A/PR/8/34, ZX1109, and B/Florida/78/2015 with EC₅₀ values of 2.82, 3.45, and 0.54 µM, respectively, which were more potent than the positive control oseltamivir. These findings suggest that compound 8 may be a potential structure basis for developing anti-influenza agents.

Two new benzaldehyde derivatives aspergitones A (1) and B (2), along with eight known analogues 3-10, were isolated from the soft coral-associated epiphytic fungus Aspergillus sp. EGF 15-0-3. Their structures were elucidated using 1D and 2D NMR spectroscopy and HRESIMS, while the absolute configuration of 1 was determined through the experimental and computational ECD analysis. Based on the molecular docking and activity assays against the antitumor targets tyrosyl-DNA phosphodiesterases 1 and 2 (TDP1 and TDP2), compound 7 was found to be a potential dual inhibitor against TDP1 and TDP2, while 5 showed the strongest inhibition against TDP1.

Lupeol (LUP), a naturally occurring pentacyclic triterpene, is found in various fruits, vegetables, and medicinal plants and is evident to possess diverse pharmacological activities. This study aimed to consolidate its findings based on updated database reports. Findings suggest that LUP and some of its derivatives have promising biological roles, including anticancer effects. Notably, LUP induces apoptosis and cell cycle arrest in cancer cells while sparing normal cells, highlighting its selective cytotoxicity. By modifying pathways such as NF-κB and PI3K/Akt, LUP demonstrates anticancer activity, reducing LDL oxidation by 34.4% and causing cancer cells to undergo apoptosis while leaving healthy cells unaffected. Moreover, it has strong antioxidant and anti-inflammatory properties; thus, it may act against conditions like arthritis, asthma, and cardiovascular diseases. It has broad-spectrum antimicrobial activities and can be used as an alternative to conventional antibiotics. LUP and its nanoformulations (PEGylated liposomes) improved biopharmaceutical profiles in test systems. It also showed neuroprotective effects, particularly against Alzheimer's and Parkinson's diseases. Taken together, LUP has multi-target therapeutic approaches against various diseases and pathological conditions, advocating for its inclusion in future clinical trials.

In the present study, silver (AgNPs) and gold (AuNPs) nanoparticles have been prepared using ethanolic extract of Nepeta leucophylla (NLe). This plant was considered owing to its richness in natural polyphenols and antioxidants that are well known for their reducing potential. Different techniques such as UV (Ultraviolet-visible spectrophotometer), FTIR (Fourier transform infrared), XRD (X-ray diffraction) were utilized for the characterization of nanoparticles. The UV absorption peak was observed at 434 nm and 535 nm for NLe-AgNPs and NLe-AuNPs respectively. FTIR suggested about the possible classes of biomolecules involved in the formation of metal nanoparticles. XRD pattern confirmed the crystalline structure of gold and silver nanoparticles and validated that the crystal structure under consideration is a face-centered cubic (FCC) pattern. HR-TEM images revealed that the NLe-AgNPs and NLe-AuNPs nanoparticles were spherical in shape, with average diameters of 11.4 nm and 7.8 nm respectively. The antioxidant potential was assessed using the DPPH assay, which revealed that NLe exhibited the highest antioxidant potential (79.37 %) compared to synthesized metal nanoparticles. Further, cytotoxic potential was evaluated using MTT assay against Hep G2 cell lines. The IC50 values were determined to be 5.97 µg/mL for NLe, 12.31 µg/mL for NLe-AgNPs, and 34.58 µg/mL for NLe-AuNPs.

The field of chemical biology has been revolutionized by click chemistry due to its remarkable efficiency, selectivity, and gentle reaction conditions. Among the various click reactions, the copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) has emerged as the most widely used technique. The formation of 1,2,3-triazoles through copper(I)-catalyzed reactions between azides and terminal acetylenes serves as an effective method for creating important medicinal frameworks. This process is highly reliable, completely specific, and utilizes biocompatible reagents. Click chemistry has emerged as a valuable approach for developing potential anticancer drug candidates. The present review highlights the recent advancements)2020-2025) in the click chemistry approach (CuAAC) for the construction of biologically important triazole moieties and their hybrid compounds as anticancer agents.

Micromeria biflora is widely used traditionally for various disorders, such as wounds, nosebleeds, and sinusitis. The study was conducted to investigate the chemical and pharmacological properties of M. biflora aerial parts. Gas chromatography-mass spectrometry (GC-MS) analysis revealed the presence of 84 components in M. biflora total methanolic extract (MBTME). The toxicity study showed no morbidity and/or mortality at the tested concentrations. The estimated LD₅₀ value of MBTME was greater than 3 g/kg body weight. MBTME exhibited significant 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging activity and increased reducing power in the ferric reducing antioxidant power (FRAP) assay with the elevation in concentration. MBTME demonstrated significant anticancer efficacy against hepatocellular carcinoma (HepG-2), colon carcinoma (HCT-116), and intestinal carcinoma (Caco-2) cell lines with IC₅₀ values of 23.14 ± 2.92, 28.22 ± 3.07, and 18.70 ± 3.36 µg/mL, respectively. Histological examination revealed substantial morphological changes consistent with the observation associated with the apoptotic mechanism of action. The molecular docking study provided insights into the rational binding modes of the identified compounds with poly(ADP-ribose) polymerase-1 (PARP-1) and tyrosinase. In silico absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties predictions found that most of the identified compounds exhibited low toxic effects and good absorption and solubility properties.

This study aimed to analyze the chemical profiles of Hylotelephium species, hybrids, and cultivars in terms of headspace (HS) volatiles (by GC-MS/flame ionization detector [FID]) and elemental composition (macro- and microelements) of roots and leaves (by ICP-OES). Contrary to the root HS fraction, the HS fraction of the leaf did not contain any volatiles. Generally, oxygenated monoterpenes are a dominant class of root HS volatiles, with monoterpenic alcohol myrtenol as a major compound followed by aliphatic alcohol 1-octen-3-ol. Regarding the content of macroelements, the analyzed samples mostly contained the highest content of Ca or K and the smallest content of Na. Among microelements, Fe, Mn, and Zn were the most abundant in the root. Interestingly, the highest content of most microelements was detected in the studied species. Regarding the translocation factors (TF) for toxic elements, hybrids, and cultivars proved better for accumulating heavy metals than species. Overall, both chemical profiles were statistically processed using multivariate analysis (agglomerative hierarchical clustering [AHC] and principal component analysis [PCA]) to observe the tendency of grouping based on the chemical composition. According to the HS volatile pattern, a hybrid H. "Matrona" as well as both studied species were most separated from the others. The distribution pattern of macro- and microelements made the species root stand out most, whereas other samples were regularly divided into two groups: root and leaf, regardless of origin. H. "Matrona" showed the greatest potential for the translocation of most elements from the root to the leaf.

Dysoxylum malabaricum is well-known as a folklore herb. It is extensively utilized in traditional medicine to address various ailments. The study investigated the phytochemicals of D.malabaricum, focusing on its fruit, which was found to contain various terpenoids. Through extensive spectral analysis, 6 triterpenoids and 1 limonoid were identified and reported for the first time. The cytotoxicity of the compound was evaluated through in-vitro and in-silico studies followed by MD simulations. Extracts were prepared and chromatographic techniques were applied to isolate compounds from the extract, which underwent phytochemical screening via LC-HRMS. Functional groups were assessed using NMR confirming the presence of bioactive compounds. HR-LCMS analysis identified 7 phytoconstituents, with binectarilactone and dihydrobinectarilactone being potential bioactive characterized. Our findings confirm known molecules, highlighting the potential of binectarilactone and dihydrobinectarilactone as significant cytotoxic agents having IC50 of 29 µM and 14 µM, respectively, against MCF-7 cell lines. The molecular docking and dynamic simulation analysis showed the anti-cancer properties of the compound with EGFR enzymes. Binectarilactone and Dihydrobinectarilactone displayed the highest binding energy for all the proteins viz EGFR, FGFR, HER-2, and IGFR-1 overexpressed on MCF-7, MDA-MB-231, Hs578t, ZR-75-30, BT549 cell lines. Both showed conformational stability of protein-ligand complex with EGFR, FGFR and HER-2.