Journals
2025 EN
Fabiyi Oluwatoyin A. · Baker Mariam T. · Alabi Ridwan O.
+5 more
ABSTRACT Rat model systems were employed to appraise the possible toxicity of cyclic imides in contrast to carbofuran. Hepato‐renal toxicity, hepatotoxicity, electrolytes, haematological indices and distortion to the histological architecture of liver and kidneys were assessed with evaluation of in silico inhibition of acetylcholinesterase (AChE) by the imides. Forty albino rats were divided into eight groups and fed a basal pellet diet for 30 days with 75 mg/mL of imides on a daily basis. This was compared with the carbofuran‐fed and control groups. A significant ( p < 0.05) increase was observed in the concentration of bilirubin, urea, uric acid, creatinine, sodium ion, chloride ion, potassium ion, serum alkaline phosphatase (ALP), serum alanine aminotransferase (ALT) and serum aspartate amino transferase (AST) in animals administered with carbofuran, but parameters like albumin, kidney ALP, liver ALP, kidney ALT, liver ALT, kidney AST, liver AST, kidney Gamma (ϒ)‐Glutamyl transferase (GGT) and liver ϒ‐GGT were significantly ( p < 0.05) low in carbofuran fed group compared with the control. Likewise, haematological alterations including low % lymphocytes, higher platelet count and high white blood cell count were recorded in contrast to the control group. The histo‐architecture of the liver and kidneys exhibited mild inflammation in some cases. Mild perturbations, though within clinical limits, were observed in some of the animals treated with cyclic imides. The strength of imides as AChE inhibitors was substantiated by an in silico mechanism, depicting the binding affinity of imides. The use of cyclic imides in M. incognita management does not entail any critical concern for toxicity. Cyclic imides could be employed in the control of M. incognita without any major safety compromise.
Journals
2025 EN
Solanki Vikas · Ibrahim Munir · Doshi Ankita
+4 more
ABSTRACT Quinolone molecule has demonstrated very high oral bioavailability and antimicrobial spectrum, which makes it a very strong candidate in the field of potency of drugs. In this study, a novel scaffold 6‐amino‐1‐(4‐methoxybenzyl) quinolin‐2(1 H )‐one synthesized through a multistep reaction process. The antimicrobial activities demonstrate that the synthesized compounds 6a , 6b , 6d , 6m , and 6n show effective antimicrobial activities against bacterial ( Escherichia coli , Serratia marcescens , Bacillus subtilis , and Staphylococcus aureus ) and fungal strain ( Saccharomyces cerevisiae ). In particular, compound 6m was found to have potent antimicrobial properties at a concentration of 400 µg/mL of minimum inhibitory concentration (MIC) and antifungal properties at a concentration of 400 µg/mL of MIC. In addition, all these molecules have been successfully tested for antioxidant activity and compounds 6a , 6b , 6d , 6i , 6l–6o show significantly higher ( p < 0.001; n = 3) and the rest of the compounds were moderate for the test as compared to the ascorbic acid taking as a standard. Also, all synthesized molecules were successfully tested for anticancer activity. Colony‐forming abilities of MDA‐MB‐231 cells treated with compounds at a concentration of 500 µg/mL revealed that all compounds led to a reduction in the number of colonies. Notably, compounds 6a , 6b , 6d , 6m , and 6n exhibited a significant decline in both the number and size of colonies compared to the control, indicating their potential as effective anticancer agents.
Journals
2025 EN
Sari Irma · Yahya Mustanir · Jantan Ibrahim
+4 more
ABSTRACT In this study, a comprehensive chemical profiling of Cymbopogon citratus metabolites grown in Aceh, Indonesia, was performed by UHPLC–ESI–QTOF–MS/MS on its 80% ethanol extract, and GC–MS on its hydrodistilled essential oil. The samples were also investigated for their anti‐inflammatory activity through bovine serum albumin (BSA) protein denaturation inhibition and human red blood cell (HRBC) membrane stabilization techniques. LC–MS/MS analysis of the extract putatively identified 54 compounds, represented by 23 phenolic compounds (flavonoids, flavonoid glycosides, lignans, anthraquinone glycosides, coumarins, and a phenolic acid), 7 carboxylic acids and esters, 7 carbohydrates, 5 amino acids, 5 lipids, 2 steroids, 2 lactones, 2 alkaloids, and 1 monoterpenoid. GC–MS analysis of the essential oil indicated it was mainly made up of monoterpenoids with neral (25.89%) and geranial (49.97%) as the major compounds. The chemical contents identified in the extract and essential oil of the plant grown in Aceh were qualitatively and quantitatively different from samples reported elsewhere. Both extract and essential oil exhibited anti‐inflammatory activity by stabilizing the HRBC membrane against hypotonicity‐induced hemolysis and inhibited the BSA protein denaturation in a concentration‐dependent manner. The anti‐inflammatory activity of C. citratus was attributed mainly to the presence of bioactive compounds especially phenolic compounds and monoterpenoids.
Journals
2025 EN
Dağlı Feyza · Çapan Ali · Kılıç İbrahim Halil
ABSTRACT This study presents the first comprehensive report on the phenolic composition, antioxidant activities, antimicrobial properties, and DNA protection potential of methanol and water extracts from flower parts of Onopordum carduchorum collected in the Gaziantep region of Turkey. In quantitative chromatographic analysis, bioactive compounds such as chlorogenic acid, 4‐hydroxybenzoic acid, syringic acid, pinoresinol, protocatechuic acid, caffeic acid, and apigenin were detected in both extracts, with a total of 22 phenolic compounds found. While the total phenolic content was higher in the aqueous extract (35.41 mg GAE/g), the methanol extract showed a higher flavonoid content (13.80 mg RE/g) ( p < 0.05). The aqueous extract exhibited significant antioxidant activity in DPPH, ABTS, FRAP, CUPRAC, metal chelation, and phosphomolybdenum tests, showing lower IC 50 and EC 50 values compared to the methanol extract ( p < 0.05). In contrast, the methanol extract showed relatively weaker antioxidant potential with higher IC 50 and EC 50 values in all analyses. Both extracts showed protective effects on DNA and provided significant protection against UV radiation. In contrast, no antimicrobial activity was observed against the tested strains. This study presents the first report on O. carduchorum flowers and provides baseline data to explore their phenolic profiles, antioxidant, and UV‐protective potential.
Journals
2025 EN
Waziri Ibrahim · Wahab Olaide O. · Mala Grema A.
+5 more
ABSTRACT The escalating global challenge of antibiotic resistance amid rising oxidative stress emphasizes the critical necessity for innovative antimicrobial strategies. This study, reported synthesis of Schiff base ligand, ( Z )‐2‐[(4‐nitrobenzylidene)amino]phenol (HL), derived from c ondensation between 2‐aminophenol and 4‐nitrobenzaldehyde, and it Co(II), Ni(II), Cu(II), and Zn(II) complexes. The compounds were characterized using NMR, FTIR, UV−Vis, MS, TGA, SEM‐EDX, and elemental (CHN) analysis. In addition, solid‐state structure of HL was obtained using single‐crystal x‐ray diffraction. The characterizations show that the ligand coordinated to the metal ions through the oxygen and nitrogen atoms of phenolic and imine moieties, resulting in a homoleptic mononuclear complexes of the form ML 2 , in which, M represents cobalt, nickel, copper, or zinc, and L stands for the ligand. Stability studies using time‐dependent UV−Vis spectroscopy in a 5% DMSO solution showcases the stability of the complexes with constant stability ( K ) as 3.76 × 10 3 , 3.51 × 10 3 , 3.30 × 10 3 , and 2.88 × 10 3 for NiL 2 , CuL 2 , CoL 2 , and ZnL 2 , respectively. Antibacterial and antioxidant activities were evaluated against selected bacteria and DPPH radical, with the complexes outperforming the ligand. Notably, Ni(II) complex showed superior activity, with MIC value as low as 3.9 µg/mL against Bacillus subtilis and IC 50 values of 2.3 µM on DPPH radical. DFT calculations at the B3LYP/Def2TZVP level supported the experimental results and provided additional insight into the geometry of the complexes. Molecular docking further validated the biological study results, providing insights into the mechanisms of action and binding affinities against the receptor.
Journals
2025 EN
Mbah Bake Maraf · Tsahnang Fofack Hans Merlin · Nouping Fekoua Joëlle Nadia
+5 more
ABSTRACT We evaluated 4,512 natural products from natural product library from Central African medicinal plants for drug discovery and South African natural compounds database libraries for the identification of potential Plasmodium falciparum L‐lactate dehydrogenase inhibitors considering the virtual screening process. Extra precision virtual screening enabled the ranking of the top hundred hit molecules based on their docking properties. The selected hits were further shortened based on docking and molecular mechanics‐generalized born surface area parameters in comparison with the reference. As a result, four hits were chosen: Mol1 , Mol2 , Mol3 , and Mol4 , all of them from the chalcone and quinone families. These molecules showed good predicted absorption, distribution, metabolism, and excretion, and toxicity properties. Finally, the molecular dynamics simulation results showed that the three chalcones, Mol1‐4 , formed an H‐bond, hydrophobic interaction with key amino acids in the active site. This in silico study suggests that the chalcone compounds could serve as a potential source for developing new effective antimalarial drugs to combat malaria. Further in vitro or in vivo studies might be conducted to determine their actual effectiveness.
Journals
2025 EN
Basar Yunus · Yenigün Semiha · Kocaman Aslı Yıldırım
+4 more
ABSTRACT Cancer is a leading cause of mortality worldwide, and plants natural products are known to be safer sources of anticancer agents. Dysphania botrys , is a plant traditionally used against gastrointestinal infections, anti‐inflammatory purposes and as spice. This study was designed to investigate the anticancer potential of D. botrys . The hexane and methanol–chloroform extracts were prepared by maceration of the crushed air‐dried plant material sequentially in the solvents. GC–MS/MS and LC–ESI–MS/MS were used to identify phytochemical constituents in the extracts and their antiproliferative properties were assessed against liver (HEPG2) and bone (SAOS‐2) cancer cell lines by MTT assay. Endothelial HUVEC cells were used to assess selectivity and cytotoxicity. In addition, in silico methods such as DFT, MEP, molecular docking, MD and MM–PBSA were performed on major compounds. In the GC–MS/MS analysis, palmitic, linoleic, oleic and stearic acids were detected in the hexane extract, while LC–ESI–MS/MS analysis revealed that the methanol–chloroform extract was rich in phenolic and polyphenolic compounds, including trans ‐ferulic acid, vanillic acid, sinapic acid, trans ‐cinnamic acid and resveratrol as the major components. MTT assay demonstrated time‐dependent antiproliferative effects of both extracts. The methanol–chloroform extract exhibited notable IC 50 values: 39.30–14.56 (24–48 h, HEPG2); 61.96–28.32 (24–48 h, SAOS‐2), and no cytotoxicity was observed up to 93.09 µg/mL on HUVEC (normal cells). The IC 50 values were comparable to those of the reference drug 5‐fluorouracil, but with significantly reduced toxicity towards normal cells. According to the results of molecular docking, resveratrol was identified as the most effective antiproliferative molecule, and this was confirmed by MD and MM–PBSA. Therefore, D. botrys is a potential source of anticancer phytomedicine against liver and bone cancer that requires further investigations.
Journals
2025 EN
Akman Tugrul Cagri · Simsek Samed · Erken İrem Nisa
+4 more
ABSTRACT This study presents the first comprehensive analysis of the phytochemical profile and biological activities of root and stalk extracts from endemic Onosma discedens Hausskn. ex Bornm. (OD). The extracts of OD were analyzed by liquid chromatography–electrospray ionization–tandem mass spectrometry (LC–ESI–MS/MS), and 16 phenolics, including vanillic acid (2077.1332 µg/g extract in root) and hesperidin (1185.3621 µg/g extract in stalk), were detected. In antioxidant activity tests, DPPH• radical scavenging activity of root extract (IC 50 : 60.69 µg/mL) was found to be higher than stalk extract (IC 50 : 95.66 µg/mL), but both extracts showed lower activity than standard antioxidants. In antiproliferative activity assays, the OD extract exhibited low cytotoxicity against MCF7 cell lines, with an IC 50 value exceeding 500 µg/mL. The stem extract was more effective on the butyrylcholinesterase (BChE) enzyme (IC 50 : 546.09 ± 0.533 µg/mL) than on the acetylcholinesterase (AChE) enzyme (IC 50 : 721.156 ± 0.410 µg/mL). When the plant is evaluated as a whole, it has a dual inhibitory effect on both cholinesterase enzymes. Molecular docking analyses confirmed the interactions of vanillic acid and hesperidin with target enzymes. As a result, it was revealed that OD, which has a rich structure in phenolic compounds and significant bioactivity due to its cholinesterase inhibitory effect, can be utilized to treat neurodegenerative illnesses like Alzheimer's.
Journals
2025 EN
El Aggadi Sanaa · Panizza Marco · El Karkouri Jamila
+5 more
Abstract Electrochemical carbon dioxide reduction offers a promising strategy to convert CO 2 into valuable chemicals and fuels, addressing critical environmental and economic challenges. Key performance parameters, factors influencing catalytic efficiency, and the diverse range of catalyst types are discussed in detail. The review highlights the intrinsic challenges associated with CO 2 ’s chemical stability and energy barriers, as well as the effects of catalyst structure, electronic properties, and reaction environment. In addition, the economic and practical aspects of CO 2 RR are considered, including the scalability of catalyst synthesis, energy input requirements, and cost‐effectiveness for industrial deployment. Finally, future perspectives emphasize the importance of integrated strategies involving catalyst innovation, electrode and reactor design, and electrolyte optimization to overcome current limitations and enable the practical, large‐scale deployment of CO 2 electroreduction as a sustainable solution for carbon management and renewable energy storage.
Journals
2025 EN
Kenger İbrahim Halil · Kardöl Ahmet · Kayraldiz Ahmet
+2 more
ABSTRACT This study evaluated the cytotoxic and genotoxic potential of lercanidipine hydrochloride (LHC) on human peripheral lymphocytes using in vitro and in silico approaches. The micronucleus (MN) test revealed a significant, dose‐dependent increase in MNs, particularly after 24‐h treatment p < 0.001), which suggests potential DNA damage. However, the chromosome aberration (CA) test did not yield statistically significant results, although a dose‐related upward trend was observed. A substantial reduction in both the mitotic index (MI) and the nuclear division index (NDI) was observed at all concentrations (** p < 0.01, p < 0.001), indicating strong cytotoxic effects. In silico molecular docking analysis revealed that the ligand (LHC) binds to the minor groove of B‐DNA with a binding energy of −7.7 kcal/mol, forming non‐covalent interactions similar to those of the known minor groove binder Netropsin (−8.14 kcal/mol). By contrast, the positive control, mitomycin C (MMC), binds to the major groove via intercalation, forming covalent cross‐links, with a binding energy of −5.45 kcal/mol. Although LHC's minor groove binding suggests a potential preference for AT‐rich regions, its sequence specificity remains unconfirmed. Overall, these findings suggest that LHC primarily exhibits cytotoxic effects (e.g., inhibition of DNA replication or transcription), with only limited and preliminary evidence of genotoxic potential. Further studies are needed to elucidate the safety of LHC and its DNA interaction mechanisms.