Chemistry & Biology[JOURNAL]
Sun
200 papers
Bi-functional activity of chlorophyllin: Antifungal action against Botrytis cinerea and induction of grapevine defense genes.
Messanh KV, Muhie Ddine M, Ambrosini V … +1 more , Riou C
J Photochem Photobiol B · 2026 Feb · PMID 41518860 · Publisher ↗
Botrytis cinerea (B. cinerea) is a fungus with a high mutation rate and infects more than 200 plant species, causing significant yield losses. Therefore, new strategies to fight against this ubiquitous phytopathogen are...
Botrytis cinerea (B. cinerea) is a fungus with a high mutation rate and infects more than 200 plant species, causing significant yield losses. Therefore, new strategies to fight against this ubiquitous phytopathogen are highly sought after. In this context, antimicrobial Photodynamic Treatment (aPDT) using the natural chlorophyllin named E140 as a photosensitizer is considered to be a good and efficient approach to limit B. cinerea growth and its spore germination and viability while limiting its mutational power. In this study, we showed that E140 tested at 100 μM under a 16 h photoperiod significantly slowed down B. cinerea mycelium growth without affecting spore germination. Moreover, as E140 was localized in the hyphal cell wall structure, this could explain the reduced septal length and width under a 16 h photoperiod, leading to a global reduction in mycelial growth. Unexpectedly, E140 was shown to reduce the expression of two virulence genes (BcBac and BcBcg3) and, on detached grapevine leaves, to increase the expression of general defense genes such as PR1, PR3, and PR4. Stilbene synthase (STS) and heat shock hypersensitive response (HSR1). Furthermore, as we also showed in this study, E140 did not alter the development of grapevine plantlets and had no toxic effect on housefly maggots. Thus, water-soluble standalone E140 could be considered as a fungistatic molecule that is also able to alter Botrytis virulence and induce plant protection, suggesting a great new potential of E140 for further applications in viticulture and agriculture.
Effect of Mart. (Açaí) Seed Bioproducts on .
Previtalli-Silva H, Hardoim DJ, Banaggia RL … +6 more , Moragas-Tellis CJ, Souza PVR, Behrens MD, Silva TSD, Calabrese KDS, Cardoso FO
Biology (Basel) · 2026 Jan · PMID 41514937 · Full text
Chagas disease remains a major public health challenge due to the limited effectiveness and considerable side effects of existing treatments, particularly during the chronic stage. Açaí () seeds have gained increasing at...
Chagas disease remains a major public health challenge due to the limited effectiveness and considerable side effects of existing treatments, particularly during the chronic stage. Açaí () seeds have gained increasing attention as a source of bioactive compounds with potential therapeutic applications. In this study, hydroalcoholic extracts and solvent fractions obtained from açaí seeds were chemically characterized by ESI/MS and HPLC-MS/MS and evaluated for their cytotoxicity and antiparasitic activity against different developmental stages of (Y strain). Chemical profiling revealed a predominance of phenolic compounds, particularly catechins and procyanidins, which were identified as major constituents of the hydroalcoholic extract and the ethyl acetate fraction. Cytotoxicity assays performed on murine peritoneal macrophages demonstrated low toxicity, with CC values exceeding 500 µg/mL for most samples, indicating a favorable in vitro safety profile. Antiparasitic assays showed weak activity against epimastigote forms; however, significant inhibitory effects were observed against bloodstream trypomastigotes, cell culture-derived trypomastigotes, and intracellular amastigotes. Notably, the hydroalcoholic extract exhibited the highest selectivity against intracellular amastigotes, with a selectivity index greater than 10, fulfilling key criteria proposed by the Drugs for Neglected Diseases initiative (DNDi) for early-stage hit compounds. Flow cytometry analysis showed that both the hydroalcoholic extract and the ethyl acetate fraction induced parasite cell death through late apoptosis-like and necrosis. Together, these findings highlight the antiparasitic potential of seed extracts, particularly against clinically relevant stages of , and support further investigation of these bioproducts as promising candidates for the development of new therapeutic strategies for Chagas disease.
Divergent Assembly of Bacteria and Fungi During Saline-Alkali Wetland Degradation.
Ding J, Wang Y, Yu S
Biology (Basel) · 2025 Dec · PMID 41514903 · Full text
To clarify microbial assembly during saline-alkali wetland degradation, we analyzed bacterial (16S rRNA) and fungal (ITS) communities across four habitats: pristine wetland (PW), transitional meadow wetland (TMW), haloph...
To clarify microbial assembly during saline-alkali wetland degradation, we analyzed bacterial (16S rRNA) and fungal (ITS) communities across four habitats: pristine wetland (PW), transitional meadow wetland (TMW), halophytic herbaceous community (HHC), and converted farmland (CF). Soil water content collapsed from PW (42.22%) to ≤18.40% elsewhere, and soils were alkaline with pH highest in HHC (10.08). Nutrient pools and enzyme activities were highest in PW (SOC 35.03 g kg; URE 142.58 mg g; SUC 527.83 mg g) but declined sharply under natural degradation, reaching minima in HHC (SOC 8.02 g kg). ACP and CAT were also lowest in HHC. Bacterial communities were dominated by Actinomycetota and Pseudomonadota, with Acidobacteriota and Bacillota enriched in CF. Bacterial diversity peaked in CF, whereas fungal richness was highest in CF and Shannon diversity peaked in TMW. Ordination and redundancy analyses indicated stronger edaphic control on bacteria than fungi, with pH, SOC, and moisture as key drivers. Null-model analyses showed bacterial assembly shifted toward deterministic selection under saline-alkali stress and agricultural conversion, whereas fungal assembly remained predominantly stochastic. Co-occurrence networks further suggested higher bacterial vulnerability under extreme degradation but comparatively higher fungal robustness. Overall, bacteria and fungi follow divergent assembly rules during saline-alkali wetland degradation.
Allostery-Driven Substrate Gating in the Chlorothalonil Dehalogenase from sp. CTN-3.
Gerlich G, Klein-Seetharaman J, Holz RC
Biology (Basel) · 2025 Dec · PMID 41514861 · Full text
The catalytic mechanism of the Zn(II)-dependent chlorothalonil dehalogenase from sp. CTN-3 (Chd) was examined using molecular dynamics (MD) simulations, Bayesian network analysis, and Markov state model analysis to quan...
The catalytic mechanism of the Zn(II)-dependent chlorothalonil dehalogenase from sp. CTN-3 (Chd) was examined using molecular dynamics (MD) simulations, Bayesian network analysis, and Markov state model analysis to quantify its motions. Chd selectively substitutes an aromatic chlorine-carbon bond in chlorothalonil (TPN; 2,4,5,6-tetrachloroisophtalonitrile) with an aromatic alcohol (4-hydroxytrichloro-isophthalonitrile; 4-OH-TPN). It is a homodimer with two solvent-accessible channels in each monomer, which are proposed to provide different routes for substrate and products to access/leave the catalytic Zn(II) site. Based on MD simulations, Chd exhibits allosteric behavior wherein a "Y"-shaped substrate channel exhibits a "flip flop" mechanism, where the "right" substrate channel opens to allow TPN to enter, after which it closes, followed by the "left" channel opening. The "right" channel then reopens, likely to allow the product, 4-OH-TPN, to leave the active site, but this reopening of the right channel drives the "left" channel to close. Coupled with the substrate channels alternately opening and closing, a corresponding possible Cl channel opens and closes. Although the dynamics of this process are fast, Chd needs to overcome a 5 kT free-energy barrier for this transition and to relax after opening. Additionally, exposed "wing" residues, hydrophilic residues at the ends of protruding α-helices, act as allosteric indicators, signaling the complex allosteric motions required to open the substrate channel. We propose, for the first time, a dynamic mechanism that drives substrate binding and product release, providing new insight into Chd's catalytic mechanism.
Proteomics analysis of human mesenchymal stromal/stem cell sarcomagenesis model identifies ALDH1A3 and CD99 as potential targets in the transformation process.
Gobin JM, Gao J, Rey V … +10 more , Tornín J, Muradia G, Halabi H, Bueno C, Guerrero-Murillo M, Lopez-Millan B, Menendez P, Rosu-Myles M, Rodriguez R, Lavoie JR
BMC Biol · 2026 Jan · PMID 41514266 · Full text
BACKGROUND: Mesenchymal stromal/stem cells (MSC) may represent the cell-of-origin for sarcoma development. A collection of human MSCs sequentially mutated with an increasing number of oncogenic hits served to recreate a...
BACKGROUND: Mesenchymal stromal/stem cells (MSC) may represent the cell-of-origin for sarcoma development. A collection of human MSCs sequentially mutated with an increasing number of oncogenic hits served to recreate a step-wise process of sarcomagenesis. To identify potential protein targets of interest in the MSC-sarcoma transformation process, quantitative mass spectrometry-based (LC-MS/MS) proteomics was performed. RESULTS: Among the protein hits identified as significantly regulated in the transformation process, ALDH1A3 and CD99 were selected and further studied. Both ALDH1A3 abundance levels and activity were significantly upregulated in early-phase (immortalized) and fully transformed (sarcoma forming) cells as compared to normal MSCs. Inversely, CD99 total protein and cell-surface abundance levels were downregulated in immortalized and transformed MSCs. Downregulated CD99 was also identified in several human bone and soft tissue sarcoma subtypes. CONCLUSIONS: Proteomics investigation of a MSC-transformation model of sarcoma has yielded ALDH1A3 and CD99 as potential targets for sarcomagenesis that may contribute to a greater understanding of the disease and the development of novel therapeutic approaches.
Multi-omics and perturbation screens as discovery tools in immunometabolism.
Chapman NM, Chi H
PLoS Biol · 2026 Jan · PMID 41511916 · Full text
Metabolic rewiring of immune cells has broad impacts on immune responses and disease outcomes. Systems biology approaches, such as multi-omics profiling and perturbation screening, could uncover new actionable targets an...
Metabolic rewiring of immune cells has broad impacts on immune responses and disease outcomes. Systems biology approaches, such as multi-omics profiling and perturbation screening, could uncover new actionable targets and therapeutic avenues to explore.
Membrane-targeted photodynamic mechanisms of methylene violet 3RAX in melanoma models.
de Oliveira TS, Kobal MB, Ferreira AS … +4 more , de Almeida Junior AM, Toledo KA, Camacho SA, Aoki PHB
J Photochem Photobiol B · 2026 Feb · PMID 41506222 · Publisher ↗
Melanoma, while less prevalent than other skin cancers, remains the most lethal and aggressive type, posing significant treatment challenges. Photodynamic therapy (PDT) offers a promising, less invasive alternative to co...
Melanoma, while less prevalent than other skin cancers, remains the most lethal and aggressive type, posing significant treatment challenges. Photodynamic therapy (PDT) offers a promising, less invasive alternative to conventional therapies. In this study, we explored the potential of methylene violet 3RAX (MV), a phenazine-family photosensitizer, for PDT applications through in vitro assays and Langmuir monolayer studies, focusing on its interactions with cell lipid extract membranes derived from two melanoma lineages, A375 and SH-4. Our results demonstrate that MV is non-cytotoxic in the absence of light irradiation but exhibits concentration-dependent cytotoxicity upon photoactivation. Flow cytometry confirmed late apoptosis as the dominant cell death pathway under irradiation. Langmuir isotherms revealed that MV adsorbs onto anionic head groups of the lipid monolayers, particularly interacting with phosphate groups, promoting molecular organization. Upon irradiation, significant material loss to the subphase was observed, suggesting photooxidative interactions with lipid tail unsaturations, leading to hydroperoxidation, chain cleavage, and membrane destabilization. These findings highlight MV dual role as an effective photosensitizer and a molecular probe for membrane interactions, providing new insights into its mechanisms of action in PDT.
PEGylated isothiocyanate-functionalized zinc(II) phthalocyanine exhibits cell-type dependent photodynamic activity in 2D and 3D tumor models.
Özçeşmeci M, Isik S, Samsunlu T … +6 more , Kaplan E, Atmaca GY, Burat AK, Erdoğmuş A, Serhatli M, Hamuryudan E
J Photochem Photobiol B · 2026 Feb · PMID 41506221 · Publisher ↗
This study reports the synthesis and characterization of an asymmetric zinc(II) phthalocyanine (5) containing three tetraethyleneglycol monomethyl ether groups and one isothiocyanatophenoxy group at its periphery. The is...
This study reports the synthesis and characterization of an asymmetric zinc(II) phthalocyanine (5) containing three tetraethyleneglycol monomethyl ether groups and one isothiocyanatophenoxy group at its periphery. The isothiocyanate unit was selected to ensure selective bioconjugation under mild reaction conditions and to reduce side product formation, while tetraethyleneglycol monomethyl ether groups were incorporated to increase solubility and tailor photophysical and photochemical properties relevant to photodynamic therapy applications. The compound showed a singlet oxygen quantum yield (Φ) of 0.38, confirming efficient photosensitizer performance. Photodynamic activity was evaluated across multiple cancer cell lines in both 2D monolayer and 3D spheroid cultures. In 2D models, compound 5 produced pronounced light-dependent cytotoxicity accompanied by increased intracellular ROS. Cell-death profiles varied among cancer types, with FaDu cells showing the highest sensitivity under the tested conditions, consistent with differences in cellular susceptibility to compound 5-mediated PDT. In 3D spheroids, efficacy was reduced, in line with known limitations of PDT in compact tumor-like structures, including restricted light propagation, oxygen gradients, and limited compound penetration. Minimal phototoxicity in non-malignant fibroblasts under the same conditions suggests preferential photodynamic activity in the tested cancer models. Overall, these results support the PDT potential of compound 5 and highlight the influence of cellular context and 3D architecture on treatment responses.
C-Phycocyanin-mediated photoactivation versus Er: YAG laser irradiation for ceramic bracket surface conditioning: Influence on bonding efficacy of sepiolite nanoparticle-modified adhesive.
Almoammar S, Kamran MA, Alshehri A … +3 more , Awadh W, Alshehrany AM, Alshahrani I
J Photochem Photobiol B · 2026 Jan · PMID 41475193 · Publisher ↗
AIM: The current study investigated the potential of Er: YAG laser and C-Phycocyanin (C-PC) mediated photoactivation (PA) as alternatives to hydrofluoric acid (HFA) for the preparation of ceramic bracket surfaces before...
AIM: The current study investigated the potential of Er: YAG laser and C-Phycocyanin (C-PC) mediated photoactivation (PA) as alternatives to hydrofluoric acid (HFA) for the preparation of ceramic bracket surfaces before bonding. Additionally, the study also evaluated the incorporation of sepiolite nanoparticles (SepNP) into the adhesive could enhance the bonding efficacy of the conditioned ceramic bracket to enamel. METHODOLOGY: One-twenty ceramic brackets were allocated into four distinct treatment groups: untreated, HFA etched, Er: YAG laser treated, and C-PC-PA. Each group was further divided, with half of the brackets bonded using a standard adhesive and the other half using an adhesive augmented with 1 % SepNPs. Surface roughness (Ra) was quantified utilizing a profilometer, and the pretreated ceramic bracket bases were scrutinized via scanning electron microscopy (SEM). Following the aging process of the samples, the force required to debond the ceramic bracket from the enamel was evaluated using a universal testing machine (UTM). The failure mode was documented using the adhesive remnant index (ARI), and the degree of conversion (DC) of both modified and unmodified adhesives was subsequently assessed. RESULTS: The laser-treated roughened surfaces (1167.43 ± 6.81 μm) demonstrated comparable efficacy to those etched with HFA (1158.74 ± 8.54 μm). In contrast, the C-PC-PA method resulted in minimal surface roughening (735.47 ± 5.69 μm), showing no significant improvement over untreated brackets. The pattern of bond strength was consistent with these findings-both the laser and acid-treated groups exhibited strong bonding (8.51-9.60 MPa), whereas the photoactivation and untreated groups displayed weaker adhesion (5.21-6.36 MPa). The incorporation of nanoparticles enhanced bond strength across all groups without affecting the DC (75.05 % versus 76.44 %). CONCLUSION: The Er: YAG laser is as effective as HFA for conditioning ceramic brackets, while mitigating the safety hazards associated with handling toxic acids. SepNPs enhance adhesive performance without affecting the curing process. Conversely, C-PC-PA was found to be ineffective for ceramic bracket conditioning.
Chemical synthesis and biological evaluation of Ectoine and its derivatives for skin-whitening, antioxidant, and UV-protective activities.
Yang H, Chen L, Wang Y … +4 more , Zhang M, Fan Y, Huang Y, Zhao Q
J Photochem Photobiol B · 2026 Jan · PMID 41468728 · Publisher ↗
Ectoine (2b), a derivative of diamino acids, is widely acknowledged for its solute compatibility and finds extensive application in the formulation of cleaning products and cosmetics. At present, the production of ectoin...
Ectoine (2b), a derivative of diamino acids, is widely acknowledged for its solute compatibility and finds extensive application in the formulation of cleaning products and cosmetics. At present, the production of ectoine predominantly depends on costly biotechnological fermentation methods. This study explores a novel method for the chemical synthesis of ectoine and its derivatives (2a-2e), employing diamino acid derivatives as starting materials, which achieved an impressive maximum yield of 98.18 %. The biological activities of these compounds, encompassing antioxidant, skin-whitening, and UV-protective effects, were systematically assessed. The results indicate that compounds 2a and 2b demonstrate comparable skin-whitening, antioxidant, and UV-protect.
AI-Powered Structural and Co-Expression Analysis of Potato () Transporters Under Drought: A Combined AlphaFold, WGCNA, and MD Approach.
Kurt B, Kurt F
Biology (Basel) · 2025 Dec · PMID 41463496 · Full text
Drought stress significantly impacts potato () yield and quality, necessitating the identification of molecular regulators involved in stress response. This study presents a systems-level, integrative in silico strategy...
Drought stress significantly impacts potato () yield and quality, necessitating the identification of molecular regulators involved in stress response. This study presents a systems-level, integrative in silico strategy to characterize transporter homologs, key players in abscisic acid (ABA) export in Arabidopsis, to evaluate their potential role in drought adaptation. We performed a genome-wide scan of the potato genome and identified four isoforms. A comprehensive computational framework was applied, including transcriptomic profiling, Weighted Gene Co-expression Network Analysis (WGCNA), AlphaFold2-based 3D modeling, docking, and long-timescale Molecular Dynamics (MD) simulations. Expression analyses revealed the coordinated upregulation of and in the drought-tolerant FB clone, contrasted by suppression or instability in sensitive cultivars. WGCNA placed as a hub gene in ABA-enriched stress response modules, while was associated with plastid-related pathways, suggesting functional divergence. Structurally, and -6 exhibited high conformational stability in MD simulations, supported by consistent RMSD/RMSF profiles and MM/PBSA-based binding energy estimates. In contrast, , despite favorable docking scores, demonstrated poor dynamic stability and unreliable binding affinity. Overall, this study highlights the critical role of transcriptional coordination and structural robustness in the functional specialization of isoforms under drought stress. Our findings underscore the value of combining WGCNA and molecular dynamics simulations to identify structurally and functionally relevant ABA transporters for future crop improvement strategies.
Rhizosphere Strain Enhances the (Rupr. & Maxim.) Maxim. Growth in Roots and Soil Nutrient Status While Enriching the Plant-Beneficial Bacteria in Rhizosphere.
Zhang Y, Tang X, Qi J … +5 more , Zhong W, Li X, Tang Z, Liu Y, Li D
Biology (Basel) · 2025 Nov · PMID 41463408 · Full text
This study aimed to investigate the promoting mechanisms of on (Rupr. and Maxim.) Maxim. () root development. Using seeds as experimental material, soil was drenched with suspensions at different concentrations (wat...
This study aimed to investigate the promoting mechanisms of on (Rupr. and Maxim.) Maxim. () root development. Using seeds as experimental material, soil was drenched with suspensions at different concentrations (water, 25%; 50%; 75%, and 100%). The results showed that the germination rate, root tip number (52 ± 2.97), total root length (23.7 ± 0.46 cm), and total root volume (57.36 ± 1.64 mm) exhibited an initial increase, then a decrease after treatment ( < 0.05). Principal component analysis (PCA) indicated that the soil of at a 50% concentration was conducive to seed germination. Compared with CK, GC-MS analysis revealed that 16 differential primary metabolites were screened, primarily enriched in galactose metabolism, starch and sucrose metabolism, and TCA cycle pathways after 50% treatment. LC-MS analysis revealed that the contents of six main medicinal components were higher than those of CK, with the content of eleutheroside E being 2.62 times greater. In rhizosphere soil, the contents of NO-N and NH-N were promoted, and the abundance of was increased in bacterial communities. Correlation analysis revealed significant correlations between the abundance of and the contents of NO-N and NH-N, as well as between total root length and D-galactose content, suggesting that these relationships may contribute to the root growth. Therefore, the soil of at a 50% concentration could enhance both the biomass and medicinal value of cultivated . This study provided novel insight that would be expected to be developed as an effective microbial preparation, offering a sustainable strategy for its agricultural production.
Mutual perception among conspecific seeds enhances germination synchrony.
Dong S, Qin T, Chen H … +1 more , Wang H
BMC Biol · 2025 Dec · PMID 41462269 · Full text
BACKGROUND: Cooperation among conspecific seeds, which influences germination timing and quantity, can enhance the interspecific competitive ability and environmental adaptability of invasive plants. However, the specifi...
BACKGROUND: Cooperation among conspecific seeds, which influences germination timing and quantity, can enhance the interspecific competitive ability and environmental adaptability of invasive plants. However, the specific underlying mechanisms require further investigation. This study investigates whether a chemical mechanism of mutual perception exists among seeds of the invasive plant Ambrosia trifida L. and its potential impact on seed germination. RESULTS: We found that increased seed density and higher concentrations of seed extracts significantly promoted germination rates and reduced germination time in Ambrosia trifida L. seeds. Aggregated seeds germinated earlier and more synchronously than isolated seeds, indicating the presence of seed-to-seed communication mediated by chemical signals. Widely targeted metabolomic analysis identified 527 chemical compounds in the seed extracts, with 150 involved in key metabolic pathways. Notably, secondary metabolites in the shikimates and phenylpropanoids class were enriched, particularly angelicin. Quantitative analysis confirmed that angelicin significantly enhanced germination synchronicity when applied at various concentrations. CONCLUSIONS: Our research findings indicate that Ambrosia trifida seeds communicate through secondary metabolites, with angelicin playing a key role in promoting synchronized germination. This chemical communication among conspecific seeds facilitates the rapid and uniform establishment of populations. Understanding this mechanism provides new insights into plant ecology and offers potential strategies for managing invasive species.
TPpred-CMvL: prediction of multi-functional therapeutic peptide using contrast multi-view learning.
Yan K, Xiang K, Chen Z … +4 more , Chen S, Lu S, Liu B, Wang Y
BMC Biol · 2025 Dec · PMID 41462221 · Full text
BACKGROUND: Therapeutic peptides have become an important direction in drug discovery because of their high targeting and low side effects, and are used to treat many diseases. Peptides are short-chain molecules formed b...
BACKGROUND: Therapeutic peptides have become an important direction in drug discovery because of their high targeting and low side effects, and are used to treat many diseases. Peptides are short-chain molecules formed by connecting amino acids through peptide bonds and play key roles in the body. The stability and production costs of peptides are challenges that need to be overcome for their pharmaceutical applications. Researchers have improved the accuracy of therapeutic peptide sequence function predictions by constructing and integrating peptide features from different sources. However, accurately predicting multi-functional therapeutic peptides is challenging due to the limitations of handcrafted feature properties, which are unable to capture the full complexity of biological systems. RESULTS: In this study, we introduce a novel method TPpred-CMvL for the prediction of multi-functional therapeutic peptide (MTP) based on a contrastive multi-view learning model. This framework directly integrates semantic information pretraining TAPE from protein large language model and evolutionary information. Subsequently, TPpred-CMvL leverages contrastive multi-view learning to comprehensively capture representations of peptide sequences, thereby enhancing the prediction accuracy of MTPs. We utilized adaptive synthetic sampling and focal loss to address the classification imbalance arising from the long-tailed distribution. The experimental results demonstrate that the proposed method outperforms existing related approaches and exhibits the most advanced performance. CONCLUSION: We developed a contrast multi-view learning model TPpred-CMvL utilizing sequential semantic information TAPE and evolutionary information PSSM. Compared with existing related methods, this method achieved state-of-the-art performance. Finally, a web server has been established and is accessible at http://bliulab.net/TPpred-CMvL .
Vachellia gummifera (Willd.) Kyal. & Boatwr. mitigates UVA-induced oxidative stress in HaCaT keratinocytes.
Annaz H, Imbimbo P, Abdelfattah MAO … +6 more , Mahdi I, Fahsi N, Drissi B, Merghoub N, Monti DM, Sobeh M
J Photochem Photobiol B · 2026 Jan · PMID 41447892 · Publisher ↗
Vachellia gummifera (Willd.) Kyal. & Boatwr. (formerly known as Acacia gummifera) is a thorny, flowering plant endemic to Morocco. It was selected due to the limited research on its potential skin-protective properties,...
Vachellia gummifera (Willd.) Kyal. & Boatwr. (formerly known as Acacia gummifera) is a thorny, flowering plant endemic to Morocco. It was selected due to the limited research on its potential skin-protective properties, despite other species of the same genus being traditionally used to treat various skin ailments. In this study we annotated the phytochemical profile of its aqueous leaf extract using HPLC-MS/MS and evaluated its skin protective potential through in vitro assays, including antioxidant, anti-elastase, and anti-tyrosinase activities. Additionally, we assessed its protective potential against UVA-induced oxidative stress in immortalized human keratinocyte cell line (HaCaT), along with the underlying signaling pathways. LC-MS/MS analysis revealed 48 metabolites, mainly flavonoids and their glycosides. The extract exhibited in vitro antioxidant activities with IC values of 30.96 ± 2.10 and 232.33 ± 8.40 μg/mL for DPPH and ABTS, respectively, and a FRAP activity of 8.42 ± 0.52 mM FeSO₄/g extract. It also demonstrated moderate anti-tyrosinase properties with an IC value of 369.23 ± 12.01 μg/mL. In silico analyses of most of the identified compounds did not predict any skin sensitization. Accordingly, when tested on HaCaT cells up to 400 μg/mL, the extract showed no cytotoxic effects, suggesting its biocompatibility. Cells pre-treated with the extract effectively mitigated UVA-induced cellular damage, as it significantly inhibited reactive oxygen species production and glutathione depletion, measured by DCFDA and DTNB assays, respectively. Furthermore, the extract modulated the mitogen-activated protein kinase (MAPK) pathway by inhibiting UVA-induced phosphorylation of p38. Finally, a molecular docking analyses identified citric acid, hydroxycinnamic acid pentosyl hexoside and myricetin malonyl hexoside as the enzymes exhibiting the highest binding affinity towards tyrosinase. These findings suggest that V. gummifera possesses promising antioxidant and anti-aging properties, with potential applications in skin care and photoprotection.
Prediction and analysis of anti-aging peptides using data augmentation and machine learning algorithms.
Zhang Z, Chen Y, Wang S … +4 more , Chen G, Wang M, Pan Y, Li E
BMC Biol · 2025 Dec · PMID 41444580 · Full text
BACKGROUND: For most species, Aging is an inevitable biological process that poses significant challenges to global healthcare due to age-related diseases. Recent advances in peptide therapy have highlighted anti-aging p...
BACKGROUND: For most species, Aging is an inevitable biological process that poses significant challenges to global healthcare due to age-related diseases. Recent advances in peptide therapy have highlighted anti-aging peptides (AAPs) as a promising therapeutic strategy, owing to their low immunogenicity and ease of synthesis. However, the lack of computational tools for AAP identification has hindered systematic research in this field. RESULTS: In this study, we provided a benchmark dataset of anti-aging peptides (AAPs) based on their annotated biological functions and AgingBase database. Subsequently, we proposed three novel predictive models, including 1) Antiaging-FL, which integrates feature representation learning with machine learning algorithms; 2) ESM_GAN, which utilizes a generative adversarial network (GAN) for data augmentation to enhance prediction robustness; and 3) ESM_CNN, which combines a data augmentation strategy based on conservative amino acid substitutions with a convolutional neural network (CNN) architecture for improved feature extraction. Comprehensive evaluations demonstrated that all three models achieved high predictive performance. Specifically, Antiaging-FL achieved an AUC of 1.00 on the AAP400 dataset and 0.99 on an independent test set, while ESM_GAN yielded AUCs of 0.99 and 0.95, and ESM_CNN obtained AUCs of 0.96 and 0.94, respectively. CONCLUSIONS: Our study presents three high-performance models for AAP prediction, accelerating the discovery of novel anti-aging peptides. These models not only provide a valuable resource for researchers but also offer insights into the functional mechanisms of AAPs, paving the way for targeted drug development in aging-related therapeutics.
Ultraviolet-treated riboflavin induces ROS-mediated apoptosis via inhibiting mitochondrial complex I in acute myeloid leukemia.
Liu R, Ge S, Sun J … +4 more , Liu Y, Sun L, Yu Y, Wang D
J Photochem Photobiol B · 2026 Jan · PMID 41442821 · Publisher ↗
Acute myeloid leukemia (AML) remains challenging due to drug resistance and relapse, and novel therapeutic approaches are urgently needed. Here, we demonstrated that ultraviolet-treated riboflavin (RF-UV) elicited strong...
Acute myeloid leukemia (AML) remains challenging due to drug resistance and relapse, and novel therapeutic approaches are urgently needed. Here, we demonstrated that ultraviolet-treated riboflavin (RF-UV) elicited strong antileukemia effects in AML cell lines and primary patient samples, while showing minimal toxicity in normal cells. Mechanistically, inhibition of mitochondrial respiratory Complex I by RF-UV elevated reactive oxygen species (ROS) levels and resulted in ROS-mediated apoptosis, endoplasmic reticulum (ER) stress and mitochondrial dysfunction. Crucially, in vivo research showed RF-UV considerably slowed the development of AML and extended the survival time of mice. Our research unveiled the clinical application potential of RF-UV as a complex I inhibitor in leukemia treatment.
Hydroxysafflower yellow a protects against UVA- and UVB-induced skin aging by suppressing cell apoptosis and SASP via targeting JNK and p38 MAPK pathway.
Guo B, Wu M, Tong L … +8 more , Yu J, Liu R, Deng M, Ma Y, Li H, Yang Z, Ye X, Dang Y
J Photochem Photobiol B · 2026 Jan · PMID 41421060 · Publisher ↗
Safflower (Carthamus tinctorius L.) is a traditional Chinese medicinal herb that has long been used to promote blood circulation. Its major active component, hydroxysafflor yellow A (HSYA), exhibits potent antioxidant an...
Safflower (Carthamus tinctorius L.) is a traditional Chinese medicinal herb that has long been used to promote blood circulation. Its major active component, hydroxysafflor yellow A (HSYA), exhibits potent antioxidant and anti-photoaging properties. However, the mechanisms underlying HSYA's protective effects against skin photoaging remain largely unclear. This study aimed to elucidate how HSYA mitigates skin aging induced by UVA- and UVB-triggered apoptosis and the senescence-associated secretory phenotype (SASP) in keratinocytes and fibroblasts. Damage models were established by exposing BALB/c nude mice, HaCaT keratinocytes, and HSF fibroblasts to either combined or individual UVA and UVB irradiation. Network pharmacology analysis was subsequently performed to explore the molecular mechanisms underlying the anti-photoaging effects of HSYA. The predicted targets and signaling pathways were validated through both in vitro and in vivo experiments. HSYA reduced apoptosis in UVB-damaged keratinocytes and UVA-damaged fibroblasts by regulating the expression of Bcl-2 and Bax and reducing cleavage of PARP and caspase 3. It also suppressed ROS accumulation in both cell types. Furthermore, HSYA inhibited SASP by downregulating the expression of TNF-α, IL-6, IL-8, and matrix metalloproteinases (MMPs). It significantly enhanced type I procollagen expression of skin fibroblasts and promoted collagen fiber deposition in mouse skin, suggesting a reversal of UV-induced senescence of skin fibroblasts. Mechanistically, HSYA exerted its protective effects by inhibiting the activation of the p38 and JNK pathways. Notably, the inhibitory effects of HSYA on p38 and JNK phosphorylation were comparable to those of specific MAPK inhibitors. These findings identify that HSYA exerts the protective effects against UV-induced skin damage through coordinated regulation of oxidative stress, inflammation, apoptosis, and collagen remodeling, in part by targeting the JNK/p38 MAPK pathway. Thus, HSYA emerges as a promising active ingredient for the development of anti-photoaging and skin-rejuvenation products in the future.
Selaginella Tamariscina extract reduces UVA-induced skin photodamage via regulating apoptosis and autophagy by AKT phosphorylation.
Zhao N, Zhou X, Li Z … +5 more , Liang L, Bao J, Chen X, Shu P, Zhong J
J Photochem Photobiol B · 2026 Jan · PMID 41421059 · Publisher ↗
Ultraviolet (UV) radiation, particularly in the UVA spectrum (320-400 nm), induces significant damage to both dermal and epidermal layers of skin, generating reactive oxygen species (ROS) and triggering apoptotic pathway...
Ultraviolet (UV) radiation, particularly in the UVA spectrum (320-400 nm), induces significant damage to both dermal and epidermal layers of skin, generating reactive oxygen species (ROS) and triggering apoptotic pathways that compromise skin health. Selaginella tamariscina (P. Beauv.), a traditional medicinal plant widely used throughout Asia, contains numerous flavonoid compounds with recognized therapeutic value in Chinese medicine. Through comprehensive molecular analyses including Western blotting, RT-qPCR, and flow cytometry, we demonstrated that the Selaginella tamariscina (P. Beauv.) extract (STE) significantly reduces UVA-induced apoptosis while simultaneously activating protective autophagic responses. Mechanistically, STE modulates AKT phosphorylation to regulate two critical downstream pathways: (1) the JNK-mediated apoptotic cascade and (2) the AKT/mTOR autophagic axis. In vivo experiments revealed that topical STE application provided substantial protection against UVA-induced photodamage in murine dorsal skin models. Liquid chromatography analysis identified amentoflavone as the principal bioactive component responsible for these protective properties. These findings collectively establish STE as a promising therapeutic agent against UVA photodamage, functioning through its dual capacity to attenuate apoptosis while promoting cytoprotective autophagy.
Gd(III) and Fe(III) ion crosslinked hyaluronic acid microgels composites embedding hetero atom doped carbon quantum dots render photodynamic therapy with improved bioimaging capability.
Suner SS, Sahiner M, Umut E … +1 more , Sahiner N
J Photochem Photobiol B · 2026 Jan · PMID 41421058 · Publisher ↗
In this study, we report the development of multifunctional CQ-dot@HA-Gd/Fe(III) microgels that can be readily simultaneously used in fluorescence/MR dual-mode imaging and photodynamic therapy as theragnostic agents. Nit...
In this study, we report the development of multifunctional CQ-dot@HA-Gd/Fe(III) microgels that can be readily simultaneously used in fluorescence/MR dual-mode imaging and photodynamic therapy as theragnostic agents. Nitrogen (N-) and sulfur (S-) heteroatom-doped carbon quantum dots (CQ-dot) were prepared in one step microwave treatment within 3 min as a fluorescence and photoinduced antipathogenic nanomaterial. The N/S-doped CQ-dots were spherical shaped and < 50 nm via TEM images and showed high fluorescence intensity with 420 nm emission wavelength at maximum λ:350 nm. The N/S-doped CQ-dots were embedded into ionically crosslinked hyaluronic acid (HA) microgels, employing trivalent metal ions Gd(III) or Fe(III) ions. The prepared CQ-dot@HA-Gd/Fe(III) microgels <5 mm size range are injectable for possible intravenous administration and possess high fluorescent properties. The isoelectric point (IEP) of CQ-dot@HA-Gd and CQ-dot@HA-Fe(III) microgels was determined as pH 1.45. The CQ-dot@HA-Gd/Fe(III) microgels exhibit excellent hemocompatibility without causing noticeable hemolysis and blood clotting at concentrations up to 500 mg/mL. Furthermore, the toxicity of CQ-dot@HA-Gd/Fe(III) microgels on L929 fibroblast cells was found as 100 mg/mL concentration and provide brilliant cell imaging under DAPI filter without any fluorescence dye. Also, the CQ-dot@HA-Gd/Fe(III) microgel suspension afforded great MRI contrast enhancement ability. Photoinduced anticancer activity was observed for CQ-dot@HA-Gd/Fe(III) microgels even at 50 mg/mL against SK-MEL 30 melanoma cells under UV-A light treatment for 30 min. In addition, high reactive oxygen species (ROS) generation was obtained for the pathogenic bacteria cells by light-sensitive CQ-dot@HA-Gd/Fe(III) microgels upon 30 min UV-A light treatment that triggered the destruction of the Staphylococcus aureus (ATCC 6538).
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