Journals
2025 EN
Issa Kovan Dilawer · Othman Hazha Omar · Amin Hawraz Ibrahim M.
+6 more
ABSTRACT Biebersteinia multifida DC. is a wild therapeutic plant, traditionally used for various medicinal applications. The aim of the present study is to extract bioactive constituents from the plants' roots and synthesize copper nanoparticles (CuNPs). Ethanolic extraction of the plant's roots yielded 19 bioactive compounds, recognized through gas chromatography–mass spectroscopy (GC‐MS), mainly including citraconic anhydride, γ‐sitosterol, and 2‐furancarboxaldehyde. The prepared CuNPs have been fully characterized. The biological activity evaluations revealed these CuNPs possess acceptable antibacterial and antifungal activities. Furthermore, the CuNPs displayed significant cytotoxic potency toward “4T1 breast cancer cells” while showing a relatively low cell death rate against the normal “HEK‐293 kidney cell”. In conclusion, our findings showed that the CuNPs can be synthesized from B . multifida roots with a simple, fast, and eco‐friendly procedure. These CuNPs are efficient in antimicrobial and anticancer activities.
Journals
2025 EN
Talaat Aya N. · Ibrahim Nehal · Ayoub Iriny M.
+2 more
ABSTRACT Alzheimer's disease (AD), one of the most common types of dementia, is an urgent and growing global challenge. AD pathogenesis is associated with increased activity of the acetylcholinesterase enzyme (AChE) and the β ‐site amyloid precursor protein cleaving enzyme ( β ‐secretase, BACE1). This study aimed to evaluate the AChE and BACE1 inhibitory activities of the n ‐hexane soluble fraction of Crateva magna leaf extract (CMHF) and its cytotoxic properties against cancer and normal cell lines using MTT assay, also this study aimed to identify the volatile constituents of CMHF by gas chromatography‐mass spectrometry (GC‐MS) analysis. GC‐MS analysis revealed a total of 13 metabolites which represent 92.42% of the detected compounds. Phytol was the major constituent of CMHF, representing 20.52% followed by ( Z, Z, Z )‐9,12,15‐octadecatrienoic acid ethyl ester (19.04%), γ ‐sitosterol (13.71%), hexadecanoic acid ethyl ester (12.63%) and others. CMHF revealed potent AChE and BACE1 inhibitory activities with IC 50 = 0.114 ± 0.006 and 1.723 ± 0.1 µg/mL, respectively. In conclusion, these findings indicate that CMHF may possess anti‐Alzheimer efficacy. Furthermore, the absence of cytotoxicity against HepG‐2, HCT‐116, MCF‐7, and WISH cell lines reinforces its safety profile. Therefore, CMHF could be considered as a natural and safe alternative for managing AD.
Journals
2025 EN
Umar Haruna Isiyaku · Baammi Soukayna · Ishabiyi Felix Oluwasegun
+11 more
ABSTRACT Malaria continues to pose a significant public health threat, particularly across African nations, where Plasmodium falciparum accounts for over 90% of global malaria‐related deaths. The progression and survival of P. falciparum are heavily reliant on key proteins, including protein kinase 5 (PfPK5), which is essential for the parasite's cell division and survival. Due to its pivotal role, PfPK5 represents a promising target for antimalarial drug development. This study employed cheminformatics approaches to identify potential PfPK5 inhibitors derived from bioactive compounds in Nigerian plants with known antimalarial properties. A total of 196 compounds from 14 plant species were assessed for drug‐likeness, and the drug‐like candidates were docked into the active site of PfPK5. The binding free energies of the three top‐scoring compounds were subsequently evaluated alongside their pharmacokinetic and toxicological properties. Thirteen compounds demonstrated strong binding affinities, with docking scores ranging from −6.075 to −10.072 kcal/mol, surpassing the performance of artemisinin, the reference drug, which showed a docking score of −5.613 kcal/mol. Among these, marmesin, cryptolepinone, and lecanoric acid exhibited the most favorable interactions, with binding free energies of −48.73, −43.46, and −29.95 kcal/mol, respectively, compared to −20.19 kcal/mol for artemisinin. Molecular dynamics simulations over 100 ns confirmed the stability of these interactions. Furthermore, the identified compounds demonstrated favorable pharmacokinetic and safety profiles. In conclusion, this study identifies marmesin, cryptolepinone, and lecanoric acid as promising candidates for further computational and experimental investigations aimed at developing novel antimalarial therapies targeting PfPK5.
Journals
2025 EN
Amin Haitham · Althagafy Hanan S. · ElMaksoud Mostafa S. Abd
+2 more
ABSTRACT Chronic kidney disease (CKD) is an overriding concern for many researchers and physicians as it causes unspeakable suffering and anguish among patients. Renal fibrosis is the hallmark of end‐stage kidney disease (ESKD), which can progress to death. The super‐fuels for renal fibrosis are oxidative stress and inflammation. It occurs almost without exception in all CKD patients, but how it develops is still ambiguous. Flavonoids demonstrate tremendous fighting power against inflammation and oxidative stress in many diseases. NF‐κB suppression has been deeply investigated in renal fibrosis, with phenomenally good outcomes. This review shed light on flavonoids’ ability to beat renal fibrosis associated with NF‐κB activation. Flavonoids such as apigenin, baicalin, diosmin, epigallocatechin‐3‐gallate, genistein, isoliquiritigenin, naringin, puerarin, quercetin, silibinin, wogonin, biochanin A, and cardamonin exhibit promising antifibrotic effects through targeting NF‐κB. Moreover, in silico studies showed that flavonoids displayed an outstanding inhibitory effect on NF‐κB based on the energy of binding. They are well‐fitted to the binding pocket of the target protein by forming hydrogen bonds, hydrophobic, and ionic interactions with the key amino acid residues. The outcomes revealed that silibinin, baicalin, and baicalein are the most powerful NF‐κB inhibitors. In conclusion, through suppressing NF‐κB signal, flavonoids display a dynamite performance in combating CKD and renal fibrosis.
Journals
2025 EN
Lawan Salisu Y. · Ndahi Naomi P. · Galadima Ibrahim B.
+5 more
ABSTRACT In this study, a novel fluoro‐substituted Schiff base ligand ( HL ) was synthesized through a condensation reaction between 2‐bromo‐4‐(trifluoromethoxy)aniline and 2‐hydroxybenzaldehyde in methanol solvent at room temperature. The ligand was subsequently reacted with copper(II) acetate to produce the corresponding Cu(II) complex ( CuL 2 ). Both the ligand and its complex underwent characterization using various techniques including nuclear magnetic resonance, ultraviolet‐visible, Fourier‐transform infrared, thermogravimetric analysis, elemental analysis, and mass spectroscopy. In addition, the solid‐state structure of the complex was determined through single crystal X‐ray diffraction analysis, confirming the successful isolation of the compounds. Subsequently, the nematicidal activities of the ligand and its complex were assessed through in vitro egg hatching inhibition and mortality rate assays, in comparison to the control, carbofuran ( Crf ), at concentrations of 50 and 100 µM over a 24–72‐h period. The results indicated the ligand's superiority over the complex in both assays at lower concentrations. At a concentration of 50 µM, the ligand HL demonstrated 100% egg‐hatching inhibition at 24, 48, and 72 h, whereas the complex CuL 2 showed egg‐hatching inhibition rates of 93.86 ± 0.22%, 98.76 ± 0.14%, and 99.33 ± 0.52% at the same time intervals. The control, Crf , exhibited inhibition rates of 56.33 ± 0.33%, 69.94 ± 0.6%, and 67.00 ± 0.34% over the same time period. Similarly, at a concentration of 100 µM, both the ligand and complex demonstrated 100% egg‐hatching inhibition at 24, 48, and 72 h, while the control showed egg‐hatching rates of 88.16 ± 0.84%, 89.9 ± 0.55%, and 90.8 ± 0.50%. Regarding the mortality rate, at 50 and 100 µM, the ligand HL exhibited a 100% mortality rate within 24 to 72 h, whereas the complex CuL 2 displayed mortality rates of 56.66 ± 0.33%, 63.3 ± 0.23%, and 86.66 ± 0.13% at 24, 48, and 72 h, respectively, with a mortality rate of 100% at 100 µM within the same time intervals. The control, Crf , demonstrated mortality rates of 54%–67% at 50 µM and 62%–78% at 100 µM within 24–72 h. Additionally, the density‐functional theory study revealed the electronic properties of the compounds, reinforcing the experimental findings.
Journals
2025 EN
Behery Mohammed El · ElNamaky Ruwaida I. · Almaaty Ali H. Abu
+1 more
ABSTRACT This study synthesized and evaluated a series of novel 1,3,5‐trisubstituted‐1 H ‐pyrazolo[3,4‐d]thiazole derivatives ( 5a, 5b, 6a, 6b, and 7 ) for their cytotoxic, anti‐inflammatory, and anticancer properties. The cytotoxic activity of these derivatives was evaluated against MCF‐7 and HepG2 cell lines. Compound 6b demonstrated the most potent anticancer activity, with IC 50 values of 15.57 ± 2.93 µg/mL for MCF‐7 cells and 43.72 ± 1.90 µg/mL for HepG2 cells, demonstrating greater efficacy than doxorubicin. Mechanistic studies revealed that compound 6b induced S‐phase arrest in MCF‐7 cells and G1/S‐phase arrest in HepG2 cells, along with a significant increase in apoptosis rates in the treated cancer cells. Moreover, compound 6b demonstrated significant vascular endothelial growth factor receptor 2 (VEGFR‐2) inhibition, surpassing the efficacy of sorafenib. Compounds 5b and 6b demonstrated significant anti‐inflammatory activity in RAW264.7 macrophage cells, as indicated by the decrease in nitric oxide (NO) production and the downregulation of proinflammatory cytokines, such as interleukin‐1β (IL‐1β), interleukin‐6 (IL‐6), and tumor necrosis factor‐alpha (TNF‐α). The derivatives exhibited no cytotoxicity toward normal cell lines (MCF‐10A, THLE‐2, and Vero cells), as validated by MTT assays. Docking studies elucidated the interaction mechanism between the compounds and the enzyme receptors. These findings demonstrate compound 6b as a promising candidate for the development of dual‐function anticancer and anti‐inflammatory agents.
Journals
2025 EN
Erdogan Mehmet Kadir · Gundogdu Ramazan · Toy Yusuf
+4 more
ABSTRACT Plants have been used in traditional medicine for centuries, providing a variety of biological benefits, including antioxidant and anticancer activity, due to their phytochemical composition. This study investigates the biological activity and chemical composition of Centaurea saligna , Centaurea bingoelensis , and Centaurea pyrrhoblephara , key species of the Asteraceae family, to explore their potential for developing novel therapeutic strategies. Methanol extracts of these species were analyzed for their inhibitory effects on α‐glucosidase, AChE, and BuChE enzymes. Their lipophilic components were characterized using GC‐MS, phenolic profiles via Orbitrap HPLC‐HRMS, and total phenol and flavonoid contents were quantified using established methods. Antioxidant activities were evaluated through DPPH, ABTS, ferric ion reducing, and ferrous ion chelating assays. Cytotoxic effects were assessed on HT‐29 colorectal and A549 lung cancer cells through WST‐1 analysis, determining IC 50 values. In addition, anticancer activity findings were supported by colony survival and cell migration analyses. Apoptotic activity of the applied treatments was observed by AO/EB dual staining, caspase‐3 ELISA, and Western blot analysis. Notably, the extracts significantly induced apoptosis in HT‐29 cells, evidenced by increased apoptotic indices, cleaved PARP, and p53 expression, with C. pyrrhoblephara exhibiting the strongest proapoptotic activity.
Journals
2025 EN
Islam Md. Rezaul · Rauf Abdur · Rahaman Md. Saidur
+9 more
ABSTRACT Neurodegenerative diseases (NDs) such as Parkinson's, Alzheimer's, and Huntington's diseases are complex due to their intricate pathophysiology and the lack of available treatments. NDs, identified with the loss of neurons and functional impairment, significantly impact global health. Researchers have identified the natural polyphenolic molecule ellagic acid (EA) as a potential neuroprotective agent. This review explores EA's clinical and molecular properties for NDs. It also evaluates its molecular processes, highlighting its antioxidant, antiapoptotic, and anti‐inflammatory properties that support its neuroprotective properties. EA has potent antioxidant properties because it effectively scavenges free radicals and enhances natural antioxidant defenses. It lowers oxidative stress, which is a major contributor to brain damage. It is also prominent for its powerful anti‐inflammatory properties, inhibiting the activation of microglia and astrocytes and decreasing the formation of proinflammatory cytokines. In addition, it reduces the expression of proapoptotic factors and the overexpression of antiapoptotic proteins. EA has effects on neuronal survival and function by regulating signaling pathways such as NF‐κB, Nrf2, and MAPK. It summarizes clinical trials evaluating EA's safety and effectiveness in treating NDs as a potential therapeutic intervention. In addition, it emphasizes the therapeutic potential of EA in treating NDs by integrating molecular insights with clinical findings. Recent clinical research evaluates the safety and therapeutic effectiveness of EA in NDs. The review recommends further research on EA as a potential therapeutic agent, integrating molecular insights with clinical evidence to reduce NDs. Furthermore, it indicates that there are improvements in neuroinflammation reduction, cognitive function enhancement, and overall neuroprotection.
Journals
2025 EN
Zoghebi Khalid · Rehman Zia ur · Alhazmi Hassan A.
+10 more
ABSTRACT Metallo‐beta‐lactamase VIM‐1 is a key factor contributing to bacterial resistance against beta‐lactam antibiotics, including carbapenems, in Pseudomonas aeruginosa . The infections caused by the bacterium are associated with high morbidity and mortality, especially in immunocompromised patients that involve pathological conditions leading to hospitalization. Its capability to evade a wide range of antibiotics commonly used against the bacterium has been one of the strong survival features of the bacterium. With the increasing prevalence of antibiotic resistance mediated by VIM‐1, the urgent need for novel inhibitors to treat such infections is underlined. This work employs a computational drug discovery approach to identify inhibitors against VIM‐1 from the Molport library of natural compounds. Three promising compounds, ZINC000044404209, ZINC000038140885, and ZINC000037538575, based on high docking scores, had been selected from virtual screening using the Lipinski filter. Re‐docking thus further validated their interactions with the active site of VIM‐1. Molecular dynamics simulations of 300 ns obtained that ZINC000044404209 and ZINC000038140885 were more structurally stable than the control, evident from the lower values of root mean square deviation and root mean square fluctuation, with stable hydrogen bonding and compact radius of gyration values. Calculations of free binding energy by using the Molecular Mechanics Generalized Born Surface Area method finally confirmed that the compound ZINC000038140885 showed the most favorable binding energy of −108.13 kcal/mol, followed by the ZINC000044404209 showing −38.02 kcal/mol binding energy. Therefore, compounds with stronger binding and stability than the control were identified and might be potent inhibitors targeting VIM‐1. The current in silico study has provided valuable lead compounds that may be further experimentally validated in developing new therapeutic strategies against antibiotic‐resistant P. aeruginosa .
Journals
2025 EN
Mssillou Ibrahim · Bakour Meryem · Amrati Fatima EzZahra
+3 more
ABSTRACT Syringaresinol (SYR) is a dietary lignan largely known for its therapeutic effects. Thus, our present review provides an overview of the natural sources and chemistry of this molecule and discusses its biological and pharmacological properties. Indeed, SYR is widely distributed in the plant kingdom and has been reported in 87 species distributed over 40 families. Its main sources are Acanthopanax and Albizia genera. It has also been identified and purified from Cinnamomum cassia and Panax ginseng C.A. Mey. Interestingly, SYR has an important anti‐inflammatory effect and is implicated in multiple mechanistic pathways, including the inhibition of iNOS, cyclooxygenase‐2 (COX‐2), and the decrease of NF‐κB, nitric oxide (NO), PGE2, tumor necrosis factor‐α (TNF‐α), IL‐1β, and IL‐6 levels. In cancer treatment, SYR induces cell cycle arrest, increases the expression of p21 waf1/cip1 and p27 kip1 , and causes a downregulation of cyclins and cyclin‐dependent kinases (CDKs). SYR improves cardiac function via ER/SIRT1/NLRP3/GSDMD and has a protective effect against hypoxia/reoxygenation injury. Although some toxicological studies have confirmed its safety, nevertheless, further examinations are necessary to prove its pharmacological stability. Unfortunately, there is a major lack of human clinical investigations on SYR. Therefore, it is strongly advised to focus on this side to better recommend this substance as a dietary agent for various human health complications.