Search Results (24)

Human rhinoviruses (HRVs) are the primary cause of the common cold, a highly contagious upper respiratory tract infection characterized by nasal congestion, sneezing, and sore throat. HRV replication depends on its 3C protease (HRV-3Cpro), a key enzyme that cleaves the viral polyprotein into functional proteins essential for viral maturation. Currently, no FDA-approved inhibitors specifically target HRV-3Cpro. While rupintrivir, a synthetic inhibitor, advanced to clinical trials, it ultimately failed due to limited efficacy. This study investigated the potential of Vitex negundo (or lagundi)—a medicinal plant traditionally used in the Philippines for treating colds and respiratory ailments—as a source of natural HRV-3Cpro inhibitors through in silico molecular docking and pharmacokinetic (ADMET) evaluation. Fifteen phytochemicals were screened, with five compounds exhibiting strong binding affinities exceeding that of the reference inhibitor rupintrivir (−6.1 kcal/mol): agnuside (−6.9 kcal/mol), luteolin 7-O-glucoside (−6.7 kcal/mol), 2′-p-hydroxybenzoyl mussaenosidic acid (−6.5 kcal/mol), 6′-(p-hydroxybenzoyl) mussaenosidic acid (−6.5 kcal/mol), and luteolin (−6.2 kcal/mol). Among these, luteolin emerged as a particularly promising lead compound, forming stable hydrogen bonding and hydrophobic interactions with HRV-3Cpro. Luteolin also demonstrates a favorable ADMET and safety profile, predicted to be non-mutagenic and non-hepatotoxic. These findings position luteolin as a potential plant-based HRV-3Cpro inhibitor, warranting further in vitro and in vivo studies to validate its antiviral efficacy and pharmacokinetic properties. Full article

Multidrug resistance (MDR) is an emerging global health concern worldwide, driving the need for innovative solutions. Herbal approaches are gaining attention and acceptance due to safer profiles and very few side effects. In this study, silver nanoparticles (VN-AgNPs) were synthesized using Vitex negundo, a medicinally valuable plant. A methanolic extract was prepared from Vitex negundo and the phytochemical evaluation confirmed the presence of flavonoids, alkaloids, and terpenoids, with quantitative analysis revealing high total phenolic content (TPC: 23.59 mg GAE/g) and total flavonoid content (TFC: 45.23 mg rutin/g), both maximized under microwave-assisted extraction (MAE). The antioxidant activity was also highest (18.77 mg AA/g). Characterization of the optimized extract by GC–MS identified various bioactive compounds. VN-AgNPs were synthesized using the aqueous leaf extract under specified conditions and were structurally characterized using many techniques and evaluated for antibacterial activity against four bacterial strains. VN-AgNPs exhibited significant antibacterial efficacy with inhibition zones measuring 16 ± 0.87 mm against Bacillus (Gram-positive), 15 ± 0.46 mm against E. coli (Gram-negative), 12 ± 0.64 mm against Pseudomonas (Gram-negative), and 11 ± 0.50 mm against Pectobacterium (Gram-negative plant pathogen). These findings highlight the efficacy of green-synthesized VN-AgNPs as a promising alternative to combat MDR pathogens, paving the way for sustainable and effective antimicrobial strategies. Full article

Natural products possess a wide range of biological and biochemical potentials, with plant-derived compounds being significant sources for discovering new drugs. In this study, extracts of Vitex negundo and Macaranga tanarius prepared with different solvents were tested for their antiviral activity against the original SARS-CoV-2 Wuhan strain and its variants using plaque assay, quantitative real time RT-PCR, and immunofluorescence assay (IFA). Our results showed that at their maximum non-toxic concentrations, Vitex-Dichloromethane (DCM) and Macaranga extracts significantly inhibited SARS-CoV-2 Wuhan strain growth in Vero E6 cells, showing a 5-log reduction in plaque assay and confirmed by IFA. Meanwhile, Vitex-Hexane showed moderate activity with a 2-log decrease. The inhibition was shown in a dose-dependent manner. The antiviral efficacy of these extracts was further demonstrated against various SARS-CoV-2 variants including Alpha, Beta, Delta, and Omicron. Both Vitex-DCM and Macaranga showed strong virucidal activity. In addition, Vitex-DCM and Macaranga inhibited the transcriptional activity of purified SARS-CoV-2 RdRp, indicating that RdRp inhibition may contribute to viral suppression as shown at the post-infection stage. Furthermore, combining Vitex-DCM or Macaranga with remdesivir showed a synergistic effect against SARS-CoV-2. These results suggest that Vitex negundo and Macaranga tanarius extracts are promising candidates for anti-SARS-CoV-2 treatments. Their synergy with remdesivir also underscores the potential of drug combinations in fighting SARS-CoV-2 and preventing the emergence of mutant variants. Full article

Rainfall partitioning, a crucial process in shaping the local hydrological cycle, governs canopy interception and subsequent soil water recharge. While canopy structure and meteorological conditions fundamentally regulate this process, the role of plant self-organization and its interactions with meteorological drivers (non-precipitation variables in particular) remain underexplored. To address this gap, we investigated rainfall partitioning components, including the amount, intensity, efficiency, and temporal dynamics of throughfall and stemflow, in clumped and scattered Vitex negundo L. var. heterophylla (Franch.) Rehder shrubs in the Yangjuangou catchment of the Chinese Loess Plateau during the 2021–2022 rainy seasons. Despite comparable net precipitation (clumped: 83.5% vs. scattered: 84.2% of incident rains), divergent rainfall partitioning strategies emerged. Clumped V. negundo exhibited greater stemflow (8.6% vs. 5.2%), characterized by enhanced intensity, efficiency, and favorable temporal dynamics. Conversely, scattered shrubs favored throughfall generation (79.0% vs. 74.9%). Consistent with previous research, rainfall amount was recognized as the primary control on partitioning rains. Furthermore, our integrated analysis, combining machine learning with variance decomposition, highlighted the critical roles of antecedent canopy wetness (4 h pre-event leaf wetness) and wind speed thresholds (e.g., low wind vs. gust) in regulating partitioning efficiency and temporal dynamics. These findings advance the mechanistic understanding of the interplay between plant self-organization and hydrological processes, demonstrating how morphological adaptations in V. negundo optimize water harvesting in semi-arid ecosystems. This addressed the need to incorporate dynamic interplays between plant structure (specifically, self-organized patterns) and meteorological factors (particularly non-precipitation variables) into ecohydrological models, especially for improved predictions in water-limited regions. Full article

Plant restoration strategies are ubiquitously employed for the purposes of soil and water conservation and ecological improvement in forest ecosystems. Despite N and temperature being acknowledged as pivotal factors affecting plant restoration outcomes, their effects on soil fertility, microbial communities, and shrub biomass remain underexplored, particularly in the loess hilly regions of China. Here, we examined the growth patterns and nutrient acquisition abilities of three shrub species, Periploca sepium, Amorpha fruticosa, and Vitex negundo, along with the attendant alterations in soil properties and microbial community composition under controlled greenhouse conditions. Specifically, we imposed three levels of N fertilization (200, 400, and 600 kg ha⁻¹; designated as N1, N2, and N3, respectively) and temperature regimes (18–23, 25–30, and 32–37 °C; labeled T1, T2, and T3, respectively). The results indicated a significant interplay between the combination of N fertilization and temperature significantly affecting shrub growth. Optimal growth conditions, as evidenced by the highest dry biomass accumulation, were identified as N3T1 for A. fruticosa, N1T1 for P. sepium, and N2T2 for V. negundo, with these conditions differentially influencing roots, stems, and leaves. Furthermore, soil microorganisms also responded significantly to the N fertilization and temperature. However, this was largely dependent on shrub species and soil nutrients. For A. fruticosa under N3T1 conditions, Actinobacteria and Basidiomycota abundances correlated strongly with soil C, N, and P contents, while leaf N uptake significantly correlated with the structure of both bacterial and fungal communities. For P. sepium at N1T1, Acidobacteriota was dominant in response to soil N and C, while leaf C uptake and leaf and stem N uptake positively correlated with bacterial and fungal communities, respectively. For V. negundo at N2T2, Chloroflexi had the greatest abundance, responding to the greatest variation in soil N and C, while its stem N uptake was significantly related to the structure of the fungal communities. Thus, our findings underscored the intricate interplay between abiotic factors, shrub growth, soil fertility, and microbial community dynamics, providing insights into the optimization of plant restoration efforts in ecologically sensitive regions. Full article

Accurately estimating the volume of woody vegetation is critical for assessing fuel characteristics and associated wildfire risks in shrublands. However, few studies have investigated the branch volume of multi-stemmed shrubs, a dominant life form in wildfire-prone drylands. This study predicts branch volume using the inflection point of branch diameter. This inflection point, identified using the “Segmented” package in R, marks the transition from a gradual decrease to a significant reduction in diameter along the stem. The volume of branch segment above this point is calculated as a cone, and below it, a cylinder. We validated this method on various species such as Caragana korshinskii, Salix psammophila, and Vitex negundo. Good estimations were achieved with an average 19.2% bias relative to reference branch volumes, outperforming conventional methods that subjectively treated the whole branch as either a cylinder (96.9% bias) or a cone (−34.4% bias). We tallied branches by basal diameter and provided inventories for easily locating the inflection point, as well as using two-way branch volume tables for rapid volume predictions in shrubland. In general, we developed an effective method for estimating branch volumes of multi-stemmed shrubs, enabling its application to larger-scale shrubland volumetric prediction. This advancement supports wildfire hazard assessment and informs decision-making in fuel treatments. Full article

Vitex negundo has strong antioxidant activity, but its primary antioxidant components are not clear. In this study, the antioxidant components were screened by offline two-dimensional liquid chromatography coupled with electrochemical detection (2D-LC-ECD) and subsequently assessed using liquid chromatography-tandem mass spectrometry (LC-MS/MS) identification, radical scavenging capacity, and molecular docking. Various fractions were isolated from Vitex negundo leaves, and 39 antioxidant components were screened and identified. All of the fractions containing the antioxidant components exhibited certain antioxidant activity. Correlation analysis revealed a strong correlation between the response of LC-ECD and the in vitro antioxidant activity of the fractions. Molecular docking demonstrated that components with high response to LC-ECD exhibited robust interaction with antioxidant-related target proteins. The main antioxidant components of Vitex negundo leaves were isoorientin, chlorogenic acid, agnuside, cynaroside, and scutellarin. The 2D-LC-ECD combined with LC-MS/MS was rapid and effective in screening the antioxidant components in Vitex negundo leaves and could also provide technical support for the discovery of antioxidant components with different polarities and contents in other medicinal and edible plants. Full article

Vitex L. is the largest genus of the Lamiaceae family, and most of its species are used in the traditional medicinal systems of different countries. A systematic review was conducted, according to the PRISMA methodology, to determine the potential of Vitex plants as sources of antimicrobial agents, resulting in 2610 scientific publications from which 141 articles were selected. Data analysis confirmed that Vitex species are used in traditional medicine for symptoms of possible infectious diseases. Conducted studies showed that these medicinal plants exhibited in vitro antimicrobial activity against Bacillus subtilis, Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Staphylococcus aureus. Vitex agnus-castus L. and Vitex negundo L. have been the most studied species, not only against bacterial strains but also against fungi such as Aspergillus niger and Candida albicans, viruses such as HIV-1, and parasites such as Plasmodium falciparum. Natural products like agnucastoside, negundol, negundoside, and vitegnoside have been identified in Vitex extracts and their antimicrobial activity against a wide range of microbial strains has been determined. Negundoside showed significant antimicrobial activity against Staphylococcus aureus (MIC 12.5 µg/mL). Our results show that Vitex species are potential sources of new natural antimicrobial agents. However, further experimental studies need to be conducted. Full article

In response to global climate change, future precipitation changes are expected to profoundly influence soil respiration in arid and semiarid areas. However, few studies focus on CO₂ emissions from soils undergoing precipitation changes in semiarid mountain shrublands in winter. A precipitation-manipulation experiment with three levels of precipitation (30% decreased precipitation (DP), ambient precipitation (AP), and 30% increased precipitation (IP)) was performed to examine the effects of variable precipitation on soil respiration (SR) and wintertime contributions to annual SR emissions in Vitex negundo var. heterophylla shrub ecosystems located on the Middle Taihang Mountain in Hebei Province, northern China. The results showed that the average annual SR rates and winter SR rates ranged from 1.37 to 1.67 μmol m⁻² s⁻¹ and 0.42 to 0.59 μmol m⁻² s⁻¹ among the different precipitation treatments. The model based on soil moisture better represented the soil-respiration rates, suggesting that the variable precipitation extended the water’s limitation of the soil’s CO₂ emissions. The cumulative annual soil CO₂ emissions were 523, 578, and 634 g C m⁻² in response to the DP, AP, and IP treatments, respectively. The ratio of the soil CO₂ emissions in winter to the annual CO₂ emissions varied from 7.6 to 8.8% in response to the different precipitation treatments. Therefore, ignoring the soil CO₂ emissions in winter leads to the underestimation of the carbon losses in semiarid shrublands. Our results highlight that variable precipitation significantly influences soil-respiration rates, and soil CO₂ emissions in winter must not be ignored when predicting the future feedback between SR and climate change in semiarid regions. Full article

Fitting mathematical models to describe the influence of topographic factors and coexisting plants on wild jujube distribution was performed to provide a scientific basis for wild jujube forestation. Investigation quadrats, with straight-line distances between adjacent quadrats of longer than 100 m, were set up in areas of wilderness or low human disturbance, which were rich in wild plant species. Data concerning altitude, slope aspect, slope position and slope degree of each investigation quadrat, as well as the type and number of coexisting wild plants, were collected. Based on this, correlations with the average number, occurrence probability and density of wild jujube and these variables were analyzed, and data models were established. Results of analyses show that topographic factors such as altitude, aspect, gradient, slope and position, play an important role in the distribution of wild jujube; and that Vitex negundo var. heterophylla (Franch.) Rehd. coexistence is related to wild jujube distribution. Both average number and occurrence probability of wild jujube conform to a GaussAmp model with altitude. The highest average number was recorded at 581.24 ± 13.78 m above sea level, and the highest occurrence probability at 462.53 ± 36.67 m above sea level. Average number and occurrence probability of wild jujube were fit to a linear model with slope aspect—with mathematical slope 0.49 ± 0.16—indicating that wild jujube is a light-loving and drought-tolerant plant. Average number and density of wild jujubes were fit to GaussAmp models with slope position. The highest average number and the highest density of wild jujube appears on the upper part of the middle slope. Wild jujube occurrence probability was correlated to slope degree in a quadratic equation model. With an increase in slope degree, the distribution number of wild jujube increased sharply. The survey data of slope position and slope degree further reinforced the observed drought-resistance qualities of wild jujube. Average number and density of wild jujubes were correlated to the number of Vitex negundo var. heterophylla by quadratic equation models. No other plants investigated conformed to a statistically significant relationship with wild jujube distribution. Our results suggest altitude, slope aspect, slope position and slope degree play an important role in wild jujube distribution, and that Vitex negundo var. heterophylla is an important coexistent plant species for wild jujube. Full article

A comparative study of volatiles, antioxidant activity, phytotoxic activity, as well as in silico molecular docking and ADMET study, was conducted for essential oils from three Vitex species, viz., V. agnus-castus, V. negundo, and V. trifolia. Essential oils (OEs) extracted by hydrodistillation were subjected to compositional analysis using GC-MS. A total number of 37, 45, and 43 components were identified in V. agnus-castus, V. negundo, and V. trifolia, respectively. The antioxidant activity of EOs, assessed using different radical-scavenging (DPPH, H₂O₂ and NO), reducing power, and metal chelating assays, were found to be significant as compared with those of the standards. The phytotoxic potential of the EOs was performed in the receptor species Raphanusraphanistrum (wild radish) and the EOs showed different levels of intensity of seed germination inhibition and root and shoot length inhibition. The molecular docking study was conducted to screen the antioxidant and phytotoxic activity of the major and potent compounds against human protein target, peroxiredoxin 5, and 4-hydroxyphenylpyruvate dioxygenase protein (HPPD). Results showed good binding affinities and attributed the strongest inhibitory activity to 13-epi-manoyl oxide for both the target proteins. Full article

(1) Background: Essential oil from Vitex negundo is known to have repellent and insecticidal properties toward the Anopheles gambiae and this is linked to its monoterpene and sesquiterpene content. In this work, an effort is made to delineate the constitution of V. negundo essential oil (VNEO) and their interaction with odorant-binding proteins (OBPs) of A. gambiae and hence access its repellent efficiency as cost-effective and safer malaria vector control alternatives. (2) Methods: Anopheles species authentication was performed by genomic DNA analysis and was subjected to behavioral analysis. GC-MS profiling was used to identify individual components of VNEO. Anopheles OBPs were obtained from the RCSB protein data bank and used for docking studies. Determination of ligand efficiency metrics and QSAR studies were performed using Hyper Chem Professional 8.0.3, and molecular dynamics simulations were performed using the Desmond module. (3) Results: GC-MS analysis of VNEO showed 28 compounds (monoterpenes, 80.16%; sesquiterpenes, 7.63%; and unknown constituents, 10.88%). The ligand efficiency metrics of all four ligands against the OBP 7 were within acceptable ranges. β-selinene (−12.2 kcal/mol), β-caryophellene (−9.5 kcal/mol), sulcatone (−10.9 kcal/mol), and α-ylangene (−9.3 kcal/mol) showed the strongest binding affinities for the target proteins. The most stable hydrophobic interactions were observed between β-selinene (Phe111 and Phe120), Sulcatone (Phe54 and Phe120), and α-ylangene (Phe111), while only sulcatone (Tyr49) presented H-bond interactions in the simulated environment. (4) Conclusions: Sulcatone and β-caryophyllene presented the best log p values, 6.45 and 5.20, respectively. These lead phytocompounds can be used in their purest as repellent supplement or as a natural anti-mosquito agent in product formulations. Full article

Nutrient management has increasingly become important in producing quality medicinal plant materials. Vitex negundo is an important perennial medicinal plant widely distributed in tropical Asia and Africa. This study aimed to examine the effects of nitrogen (N) and phosphorus (P) fertilization on the biomass, polyphenol contents, and essential oil yield and composition in field cultivated V. negundo. Two field experiments were conducted; one was performed on three different rates of N fertilizer (50, 100, and 200 kg-N ha⁻¹), and the other was on different P fertilizer rates (50, 100, and 200 kg-P ha⁻¹), with their respective control groups receiving no fertilization under field conditions. The results showed that at 200 kg-P ha⁻¹, V. negundo had the highest biomass and essential oil yield, the highest number of volatile components (45 compounds), and the content of bioactive ingredients ($\mathsf{\beta }$-caryophyllene and eremophilene). Polyphenol contents were not significantly different between treatments. This study indicates that 200 kg-P ha⁻¹ (NPK ratio of 1:2:1) treatment positively affects the yield of biomass, essential oils, and bioactive compounds in field cultivated V. negundo. Full article

Multiple sclerosis is a chronic autoimmune disorder that leads to the demyelination of nerve fibers, which is the major cause of non-traumatic disability all around the world. Herbal plants Nepeta hindustana L., Vitex negundo L., and Argemone albiflora L., in addition to anti-inflammatory and anti-oxidative effects, have shown great potential as neuroprotective agents. The study was aimed to develop a neuroprotective model to study the effectiveness of herbal plants (N. hindustana, V. negundo, and A. albiflora) against multiple sclerosis. The in vivo neuroprotective effects of ethanolic extracts isolated from N. hindustana, V. negundo, and A. albiflora were evaluated in lipopolysaccharides (LPS) induced multiple sclerosis Wistar rat model. The rat models were categorized into seven groups including group A as normal, B as LPS induced diseased group, while C, D, E, F, and G were designed as treatment groups. Histopathological evaluation and biochemical markers including stress and inflammatory (MMP-6, MDA, TNF-α, AOPPs, AGEs, NO, IL-17 and IL-2), antioxidant (SOD, GSH, CAT, GPx), DNA damage (Isop-2α, 8OHdG) as well as molecular biomarkers (RAGE, Caspase-8, p38) along with glutamate, homocysteine, acetylcholinesterase, and myelin binding protein (MBP) were investigated. The obtained data were analyzed using SPSS version 21 and GraphPad Prism 8.0. The different extract treated groups (C, D, E, F, G) displayed a substantial neuroprotective effect regarding remyelination of axonal terminals and oligodendrocytes migration, reduced lymphocytic infiltrations, and reduced necrosis of Purkinje cells. The levels of stress, inflammatory, and DNA damage markers were observed high in the diseased group B, which were reduced after treatments with plant extracts. The antioxidant activity was significantly reduced in diseased induced group B, however, their levels were raised after treatment with plant extract. Group F (a mélange of all the extracts) showed the most significant change among all other treatment groups (C, D, E, G). The communal dose of selected plant extracts regulates neurodegeneration at the cellular level resulting in restoration and remyelination of axonal neurons. Moreover, 400 mg/kg dose of three plants in conjugation (Group F) were found to be more effective in restoring the normal activities of all measured parameters than independent doses (Group C, D, E) and is comparable with standard drug nimodipine (Group G) clinically used for the treatment of multiple sclerosis. The present study, for the first time, reported the clinical evidence of N. hindustana, V. negundo, and A. albiflora against multiple sclerosis and concludes that all three plants showed remyelination as well neuroprotective effects which may be used as a potential natural neurotherapeutic agent against multiple sclerosis. Full article

(1) Background: Malaria fever affects millions of people yearly in Africa and Asia’s tropical and subtropical areas. Because there is no effective vaccine, malaria prevention is solely dependent on avoiding human-vector interaction. (2) Aim: This study examines the interaction between the constituents of Vitex negundo essential oil and Anopheles gambiae Odorant Binding Proteins (OBP) as well as the compositional variation, repellent efficacy, and toxicity profile. (3) Methods: The oils were subjected to GC-MS and mosquito behavioral analysis. OBP–ligand interactions, Anopheles species authentication, and the toxicity profile were determined by molecular docking, PCR assay and in silico ADME/tox tool. Docking protocol validation was achieved by redocking the co-crystallized ligands into the protein binding pocket and root mean square deviation (RMSD) calculation. (4) Results: The oil yields and compositions are climate–soil dependent with ≈71.39% monoterpenes and ≈16.32% sesquiterpene. Optimal repellency is achieved at 15 min at ED₅₀ 0.08–0.48% v/v while the RMSD was estimated to be within 0.24–1.35 Å. Strong affinities were demonstrated by α-pinene (−6.4 kcal/mol), citronellal (−5.5 kcal/mol), linalool (−5.4 kcal/mol), and myrcene (−5.8 kcal/mol) for OBP1, OBP7, OBP4, and OBP; respectively. The hydrophobic interactions involve Leu17 (α-helix 1), Cys35 (α-helix 2), ALA52 (α-helix 3), Leu73, Leu76 (α-helix 4), Ala88, Met91, Lys93, Trp114 (α-helix 5), Phe123 (α-helix 6), and Leu124 (α-helix 7) receptors within the binding cavities, and may cause blocking of the olfactory receptors resulting in disorientation. (5) Conclusion: The ligand efficiency metrics, ADME/tox and repellency screening are within the threshold values; hence, α-pinene, linalool, and myrcene are safe and fit-to-use in the development of a green and novel repellent. Full article