Anticancer Activities of Re(I) Tricarbonyl and Its Imidazole-Based Ligands: Insight from a Theoretical Approach

ACS Omega, Год журнала: 2023, Номер 8(11), С. 10242 - 10252

Опубликована: Март 7, 2023

Rhenium complexes have been observed experimentally to exhibit good inhibitory activity against malignant cells. Hence, our motivation is explore this from a theoretical perspective. In the present study, density functional theory (DFT) and in silico molecular docking approaches were utilized unravel unique properties of metal-based rhenium tricarbonyl as effective anticancer drugs. All DFT calculations geometric optimizations conducted using well-established hybrid B3LYP-GD(BJ)/Gen/6-311++G(d,p)/LanL2DZ computational method. The FT-IR spectroscopic characterization complexes: fac-[Re(Pico)(CO)3(Pz)] (R1), fac-[Re(Pico)(CO)3(Py)] (R2), fac-[Re(Dfpc)(CO)3(H2O)] (R3), fac-[Re(Dfpc)(CO)3(Pz)] (R4), fac-[Re(Dfpc)(CO)3(Py)] (R5), fac-[Re(Tfpc)(CO)3(H2O)] (R6), fac-[Re(Tfpc)(CO)3(Py)] (R7), fac-[Re(Tfpc)(CO)3(Im)] (R8) was explored. To gain insights into electronic structural properties, bioactivity, stability these complexes, highest occupied orbital–lowest unoccupied orbital analysis, binding energy, topological analysis based on quantum atoms-in-molecules considered. activities measured via human BCL-2 protein (IG5M) proapoptotic (agonist) BAX 1 (450O). results showed that studied exhibited affinity (−3.25 −10.16 kcal/mol) could cause significant disruption normal physiological functions proteins. also are suitable candidates for development agents.

Язык: Английский

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The Therapeutic Mechanisms of Honey in Mitigating Toxicity from Anticancer Chemotherapy Toxicity: A Review

Journal of Xenobiotics, Год журнала: 2024, Номер 14(3), С. 1109 - 1129

Опубликована: Авг. 20, 2024

Within the domain of conventional oncochemotherapeutics, anticancer chemotherapy (AC) has emerged as a potent strategy for treatment cancers. AC is mainstay solid and non-solid cancer treatment. Its mechanistic action targets blockage DNA transcription dysregulation cell cycle machinery in cells, leading to activation death pathways. However, attendant side effect toxicity inflicted by on healthy tissues presents formidable challenge. The crucial culprit unknown, although oxidative stress, mitochondrial impairment, inflammatory cascades, autophagy dysregulation, apoptosis, certain aberrant signaling have been implicated. Honey natural bee product with significant health benefits pharmacological properties. Interestingly, literature reports that honey may proffer protection mechanism delicate tissue/organs against from AC. Thus, this review delves into prospective role an alleviator toxicity; it provides elucidation mechanisms honey’s molecular mitigation. endeavors unravel specific cascades which orchestrates its mitigating effects, overarching objective refining application adjuvant product. supplementation prevents via inhibition NF-κB-mediated inflammation, caspase-dependent apoptosis cascades. Although there need increased studies, could mitigate various toxicities induced

Язык: Английский

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Mechanisms of Action of AGuIX as a Pan-Cancer Nano-Radiosensitizer: A Comprehensive Review

Pharmaceuticals, Год журнала: 2025, Номер 18(4), С. 519 - 519

Опубликована: Апрель 2, 2025

Objective: This review provides an overview of the current knowledge regarding mechanisms action AGuIX, a clinical-stage theranostic nano-radiosensitizer composed gadolinium. It covers steps following administration, from internalization in tumor cells to interaction with X-rays and subsequent physical, chemical, biological, immunological events. Results: After intravenous injection, AGuIX accumulates tumors through enhanced permeability retention (EPR) effect, its specific properties allow persistence for several days. At cellular level, nanomedicine is internalized by endocytic processes mainly located cytoplasm, especially lysosomes. enhances effects radiotherapy (RT) at levels, starting radiation–matter interactions chemical stage reactive oxygen species (ROS) production, followed cascade biological events leading cell death immune response. Indeed, induces local increase radiation dose deposition emission Auger electrons, ROS generation. also impacts RT-induced mechanisms, including DNA damage such as apoptosis, autophagic death, ferroptosis. Last, combination RT stimulates antitumor response induction immunogenic (ICD), activation dendritic T cells, reprogramming tumor-associated macrophages (TAMs) into pro-inflammatory phenotype. Conclusions: nanoparticle (NP) intravenously administered pan-cancer potential due biodistribution strong ability amplify mechanisms.

Язык: Английский

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Machine learning for genetic prediction of chemotherapy toxicity in cervical cancer

Biomedicine & Pharmacotherapy, Год журнала: 2023, Номер 161, С. 114518 - 114518

Опубликована: Март 10, 2023

Locally advanced cervical cancer (LACC) is frequently treated with neoadjuvant chemotherapy (NACT), which includes paclitaxel and platinum. However, the development of severe toxicity a barrier to successful NACT. Phosphatidylinositol 3-kinase (PI3K)/serine/threonine kinase (AKT) pathway related occurrence chemotherapeutic toxicity. In this research work, we employ random forest (RF) machine learning model forecast NACT (neurological, gastrointestinal, hematological reactions). Twenty-four single nucleotide polymorphisms (SNPs) in PI3K/AKT from 259 LACC patients were used construct dataset. Following data preprocessing, RF was trained. The Mean Decrease Impurity approach adopted evaluate relevance 70 selected genotypes' importance by comparing grades 1–2 vs. 3. analysis, neurological much more likely occur homozygous AA Akt2 rs7259541 than those AG or GG genotypes. CT genotype PTEN rs532678 Akt1 rs2494739 increased risk top three loci rs4558508, rs17431184, rs1130233, attributed an elevated gastrointestinal who had heterozygous exhibited obviously greater And for CC rs926091 showed tendency increase suffering rs532678, are associated different toxic effects during treatment LACC.

Язык: Английский

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Platinum-Nucleos(t)ide Compounds as Possible Antimetabolites for Antitumor/Antiviral Therapy: Properties and Perspectives

Pharmaceutics, Год журнала: 2023, Номер 15(3), С. 941 - 941

Опубликована: Март 14, 2023

Nucleoside analogues (NAs) are a family of compounds which include variety purine and pyrimidine derivatives, widely used as anticancer antiviral agents. For their ability to compete with physiological nucleosides, NAs act antimetabolites exerting activity by interfering the synthesis nucleic acids. Much progress in comprehension molecular mechanisms has been made, including providing new strategies for potentiating anticancer/antiviral activity. Among these strategies, platinum-NAs showing good potential improve therapeutic indices have synthesized studied. This short review aims describe properties future perspectives platinum-NAs, proposing complexes class antimetabolites.

Язык: Английский

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A study to assess the health effects of an anticancer drug (cyclophosphamide) in zebrafish (Danio rerio): eco-toxicity of emerging contaminants

Environmental Science Processes & Impacts, Год журнала: 2023, Номер 25(4), С. 870 - 884

Опубликована: Янв. 1, 2023

Cyclophosphamide (CP) is widely used for treating various kinds of cancer. Because its high intake, metabolism and excretion, these anticancer medications have been detected in the aquatic environment. There very limited data on toxicity effects CP organisms. The present study aims to assess toxic effect certain oxidative stress biomarkers (superoxide dismutase-SOD, catalase-CAT, glutathione peroxidase-GPx, glutathione-GSH, S-transferases-GST lipid peroxidation-LPO), protein, glucose, metabolising enzymes (aspartate aminotransferase-AST, alanine aminotransferase-ALT), ion-regulatory markers (sodium ions-Na+, potassium ions-K+, chloride ions-Cl-), histology gills liver Danio rerio at environmentally relevant concentrations (10, 100 1000 ng L-1). Exposure 42 days led a significant decrease SOD, CAT, GST, GPx GSH levels tissues zebrafish. level peroxidation zebrafish was significantly increased compared control group. Chronic exposure changes AST, ALT, Na+, K+ Cl- biomarkers. Fish exposed different showed necrosis, inflammation, degeneration hemorrhage hepatic tissues. observed studied tissue were proportional both dose time. In conclusion, causes stress, energy demand, homeostasis disturbances, enzyme histological alterations vital These similar reported mammalian models.

Язык: Английский

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Co-targeting CDK 4/6 and C-MYC/STAT3/CCND1 axis and inhibition of tumorigenesis and epithelial-mesenchymal-transition in triple negative breast cancer by Pt(II) complexes bearing NH3 as trans-co-ligand

Journal of Inorganic Biochemistry, Год журнала: 2024, Номер 259, С. 112661 - 112661

Опубликована: Июль 6, 2024

Язык: Английский

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Platinum-based chemotherapy: trends in organic nanodelivery systems

Nanoscale, Год журнала: 2024, Номер 16(31), С. 14640 - 14686

Опубликована: Янв. 1, 2024

This review explores organic nanodelivery systems in the development of platinum-based anticancer treatments, highlighting benefits, challenges, and potential for groundbreaking therapies.

Язык: Английский

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Effect of N-substituted aliphatic glycine presence on bioactivity, cytotoxicity, and selectivity of Pt(II) and Pd(II) complexes in cancer treatment

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140255 - 140255

Опубликована: Окт. 1, 2024

Язык: Английский

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Cyclophosphamide-induced multiple organ dysfunctions: unravelling of dose dependent toxic impact on biochemistry and histology

Toxicology Research, Год журнала: 2024, Номер 13(6)

Опубликована: Ноя. 5, 2024

Abstract Background: Cyclophosphamide, an immunosuppressive alkylating agent, has been used against breast cancer, lymphoma and myeloid leukemia. Despite various therapeutic uses, its toxic impacts on multiple organs remains to be fully elucidated. Aim: This study aimed investigate dose dependent impact of cyclophosphamide liver, kidney, brain testis emphasizing serum tissue biochemical histological alterations. Materials methods: Experimental design consisted five groups albino rats. Group 1–5 were administered vehicle for consecutive days. On 6th day, group 1 received only termed as control; 2–5 through intraperitoneal route at the rate 50, 100, 150 200 mg/kg dose, respectively. After 24 h last administration, rats euthanised; biochemistry; histology, sperm count motility performed. Results: Serological, indices exhibited deviations from their regular status a marker toxicity in testis. Tukey’s HSD post hoc test revealed maximum damage with cyclophosphamide.

Язык: Английский

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