Agent For Cancer Research Articles

Distribution of human papillomavirus in women by genotype, age, education, and geography in Baghdad, 2021-2022

Background: Human papillomavirus (HPV) is the main causative agent of cervical cancer and genital warts. HPV infection can be persistent with high-risk HR-HPV genotype. Objective: Investigate the distribution of HPV genotype in Baghdad province, to afford a scientific source for initial detection policies and immunization for cervical tumors in the province. Methodology: From January 2021 to September 2022, 400 women who were tested for HPV genotyping, were referred to the Central Public Health Laboratory (CPHL) in Baghdad province. They have one or more of the following (intermenstrual bleeding, post-menopausal bleeding, post-coital bleeding, vaginal discharge, and warts). Results: The prevalence of HPV infection showed a high percentage in Rusafa about 74.17%, however, Al-karkh showed about 25.83%. Both regions appeared high distribution for genotypes (16&18) as predominant types for HR-HPV. Two major rates of HPV infection have been found in women aged group (20-30) years, about (45.31%) and (36.72%) in women aged (30-40) years, these groups consider reproductive age therefore HR-HPV risking persistent infection. In comparison, HPV infections show (13.28%) among women aged 40-50 years. finally, HPV infection in the elderly group 50-65 years was (4.69%) showing the lowest percentage, also women with secondary education level appeared higher percentage of HPV infection about (42.63%) compared with primary and higher education. Conclusion: The prevalence of high-risk-HPV infection showed a high percentage in Baghdad providence and there was an important for age specificity, in addition to an inverse relationship with the education level.

Exploring highly selective polymethoxy fenamate isosteres as novel anti-prostate cancer agents: Synthesis, biological activity, molecular docking, molecular dynamics, and ADME studies

In this study, we synthesized and characterized sixteen new polymethoxy-substituted hydrazone derivatives. These compounds were evaluated for their in vitro cytotoxic activity against human prostate cancer (PC3) and human umbilical vein endothelial (HUVEC) cell lines. Compounds 5, 6, 7, and 11 exhibited significant cytotoxic effects with high selectivity index. Molecular docking studies and MM-GBSA binding free energy calculations were performed against tubulin protein. Compound 7 emerged as a particularly promising candidate, displaying an IC50 value of 1.49 µM against PC3 cells and a selectivity index of 264. Compound 7 achieved impressive docking score -13.655 kcal/mol against tubulin and formed stable hydrogen bonds and π-π stacking interactions with key residues in this protein. MD simulations confirmed the stability of the 7-tubulin complex. ADME analysis indicated that compound 7 has favorable absorption, solubility, and permeability properties, with minimal rule violations. The SAR analysis highlighted the significance of specific functional groups in enhancing the compound's cytotoxic and binding properties. Overall, compound 7 is identified as a leading candidate due to its exceptional cytotoxicity, high selectivity index, strong binding affinities, and favorable pharmacokinetic profile, making it a top candidate for further investigation and development as a novel anticancer agent.

In Vitro Anticancer Potential of Cardamom (Elettaria cardamomum) Essential Oil Against TNBC, Glioma and Kidney Cancer

Background: Green cardamom (Elettaria cardamomum (L.) Maton), a member of the Zingiberaceae family, is widely recognized for its use as a spice and traditional medicine. It is commonly used for treating gastric, cardiac, and kidney disorders, as well as infections and inflammatory conditions. Cardamom essential oil, known for its high content of bioactive compounds such as 1,8-cineole and α-terpinyl acetate, has been studied for its diverse biological activities, including antioxidant, antibacterial, anti-inflammatory, and anticancer effects. However, little is known about its anticancer potential against MDA-MB-231 (triple-negative breast cancer), U87 (glioblastoma), and HEK 293 (kidney) cell lines, especially in the context of cardamom oil sourced from Iraq. Methods: Cardamom essential oil was extracted via hydro-distillation from cardamom fruits collected in Erbil, Iraq, and its chemical composition was analyzed using gas chromatography-mass spectrometry (GC-MS). The oil’s anticancer activity was evaluated using the MTT assay against MDA-MB-231, U87, and HEK 293 cell lines. The cells were treated with various concentrations of cardamom essential oil, and cell viability was measured after 24 hours. The IC50 values were calculated to determine the oil’s efficacy. Results: GC-MS analysis revealed 33 compounds in the essential oil, with 1,8-cineole (42.37%) and α-terpinyl acetate (22.14%) being the predominant constituents. The MTT assay demonstrated that cardamom essential oil significantly reduced cell viability in MDA-MB-231 and HEK 293 cell lines in a dose-dependent manner, with IC50 values of 96.95 µl/ml and 157.44 µl/ml, respectively. However, the oil was less effective against U87 cells, showing only 40.67% inhibition at the highest concentration (500 µl/ml). Conclusion: Cardamom essential oil, rich in 1,8-cineole and α-terpinyl acetate, exhibited strong anticancer activity against MDA-MB-231 and HEK 293 cell lines, highlighting its potential as a therapeutic agent for triple-negative breast cancer. Further studies are needed to explore its full potential and mechanisms of action against different cancer types.

Discovery of Novel Lysine Methyltransferase (SMYD3) Inhibitors by Utilizing 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation

Aim: To investigate novel isoxazole amide SMYD3 inhibitors as adjuvant anticancer agents for multiple cancers. Background: SET and MYND Domain-Containing Protein 3 is a hopeful therapeutic target for breast, liver, colon, and prostate cancer. Objective: Novel SMYD3 inhibitors were predicted by the 3D-QSAR models. Methods: In this present work, 3D-QSAR, molecular docking and molecular dynamics (MD) simulations were performed on a series of isoxazole amides-based SMYD3 inhibitors. Results: Molecular docking revealed residues important to protein-compound interactions, indicating that SMYD3 inhibitors have a strong affinity with and bind to key protein residues such as TYR239, MET190, LYS297 and VAL368. The molecular docking results were further validated by molecular dynamics simulations. Conclusion: The above information provided significant guidance for the design of novel SMYD3 inhibitors.

Discovery of a potential bladder cancer inhibitor CHNQD-01281 by regulating EGFR and promoting infiltration of cytotoxic T cells

As one of the common malignancies that threaten human life, bladder cancer occurs frequently with a high mortality rate in the world, due to its invasion, recurrence and drug resistance. Natural products from marine microorganisms are becoming the hotspots in discovery of new candidate drug entities, especially in the area of cancer. Brefeldin A (BFA) is a natural Arf-GEFs inhibitor, but due to the low aqueous solubility, strong toxicity, and poor bioavailability, it is urgent to conduct structural optimization research. Herein, a new BFA pyridine acrylate derivative CHNQD-01281 with improved solubility was prepared and found to exert moderate to strong antiproliferative activity on a variety of human cancer cell lines. It was noteworthy that CHNQD-01281 was most sensitive to two bladder cancer cell lines T24 and J82 (IC50 = 0.079 and 0.081 μmol/L) with high selectivity index (SI = 14.68 and 14.32), suggesting a superior safety to BFA. In vivo studies revealed that CHNQD-01281 remarkably suppressed tumor growth in a T24 nude mice xenograft model (TGI = 52.63%) and prolonged the survival time (ILS = 68.16%) in an MB49 allogeneic mouse model via inducing infiltration of cytotoxic T cells. Further mechanism exploration indicated that CHNQD-01281 regulated both EGFR/PI3K/AKT and EGFR/ERK pathways and mediated the chemotactic effect of chemokines on immune effector cells. Overall, CHNQD-01281 may serve as a potential therapeutic agent for bladder cancer through multiple mechanisms.

Cardiovascular risks of Asian patients on androgen-receptor-targeted agents for prostate cancer: a systematic review and meta-analysis

BackgroundProstate cancer is now one of the most prevalent cancers in men in Asia. As the average life expectancy of Asian males with prostate cancer increases with the availability of treatment options, the possible risk of cardiac-related adverse effects arising from androgen-receptor-targeted agents (ARTAs) may be increased due to the greater exposure. We aim to perform a meta-analysis on the incidence of cardiac-related adverse events in Asian patients with prostate cancer treated with ARTAs. Materials and methodsDatabases were thoroughly searched for relevant articles. The Patient Intervention Comparison Outcome Study type model was used to frame our clinical question, and 2 independent authors went through several rounds of screening to select the final included studies. A meta-analysis was conducted using the Cochran–Mantel–Haenszel method. Quality assessment was carried out with the Cochrane risk-of-bias tool RoB 2. ResultsSeven randomized controlled trials were included for the final meta-analysis. Use of ARTA in Asian men did not show any significant increase in the total number of cardiac-related adverse events (risk ratio [RR]: 1.66 [0.84–3.26], p = 0.14). However, there was increase in incidence of hypertension (RR: 2.30 [1.41–3.73], p = 0.0008) and hypertension crises (RR: 16.87 [2.13–133.34], p = 0.007). A subgroup analysis of the type of ARTA used showed enzalutamide having the highest risk of hypertension (RR: 5.86 [2.10–16.38], p = 0.0008). Conclusion:Although ARTAs did not show any significant increase in incidence of cardiac-related adverse events, there is an increased risk of hypertension especially with the use of enzalutamide. With this knowledge, closer blood pressure monitoring is needed for patients started on ARTA, especially enzalutamide.

Herbal Medicines Genkwadaphnin as Therapeutic Agent for Cancers and Other Human Disorders: A Review of Pharmacological Activities through Scientific Evidence

Backgrounds: Daphnane-type diterpenes are an important class of phytochemicals found to be present in the family Euphorbiaceae and Thymelaeaceae. It has anti-leukaemic, antihyperglycaemic, and anti-fertility activities in medicine. Daphne genkwa is indigenous to the Yangtze River and Yellow River of China. Daphne genkwa contains significant amounts of daphnane- type diterpenes. Phytochemical analysis of Daphne genkwa led to the isolation of flavonoids, lignins, coumarins, caffeotannic acids, and genkwadaphnin. Methods: Present review highlighted the biological potential of genkwadaphnin in medicine. All the scientific data of Daphne genkwa, and genkwadaphnin were collected from Google, Google Scholar, Science Direct, Scopus, and PubMed and analyzed in the present work to know the therapeutic potential of genkwadaphnin in medicine. Detailed pharmacological activities of genkwadaphnin were analyzed in the present work through scientific data analysis of various research works. Results: Genkwadaphnin is a daphnane diterpene ester molecule mainly isolated from the Daphne genkwa, Dendrostellera lessertii, Daphne odorata, Gnidia latifolia, and Gnidia glaucus. Genkwadaphnin has been reported to exert therapeutic potential against hepatocellular carcinoma, human colon cancer, squamous cell carcinoma, and leukemia. Further, it has a significant role in innate immunity, melanogenesis, skeletal diseases, inflammatory cytokines, and natural killer cell. However, pharmacokinetics and metabolomics aspects of genkwadaphnin were also discussed in the present work. Further, more scientific data on human clinical trials is needed to ensure the safety and efficacy of genkwadaphnin in medicine. Conclusion: In the present work, a successful review had been achieved by the above-mentioned scientific data, which signified the therapeutic potential of genkwadaphnin in medicine.

In silico study of Andrographolide from Andrographis paniculata (Burm F.) Ness as an anti-colorectal cancer agent

Cancer is one of the leading causes of death in the world, one of which is colorectal cancer, a malignant tumor in the epithelial tissue of the colon and rectum. Cancer treatment is long-term, so it has an impact on physical and psychological changes for patients. There was many exploration of anticancer drug candidates from natural ingredients such as andrographolide compounds. The in silico method can be done to predicts the absorption, distribution, metabolism, and excretion (ADME) of andrographolide compounds and meets Lipinski Rule of Five. The toxicity of andrographolide compounds was classified in class 4, which needs dose supervision. The prediction of activity potential is quite good based on the Structure-Activity Relationship (SAR). The results of molecular tethering of the three target receptors, namely Cyclooxigenase-2 (COX-2), caspase-3, and Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2), showed that caspase-3 has the best binding value or affinity of -5.36 kcal/mol, with quite a lot of hydrogen bonds of 7. The amino acids formed in andrographolide compounds are the same as the baseline ligands, so it can be concluded that andrographolide has colorectal anticancer activity and can increase caspase-3 activity in colorectal cancer cells.

Design, Synthesis and Evaluation of a Novel Teoptinib Derivative as an Effective Anti-hepatocellular Carcinoma Agent.

Hepatocellular Carcinoma (HCC) is a type of liver cancer known for its poor prognosis and high mortality. Teoptinib is a highly selective MET inhibitor that has been used in the treatment of liver cancer. Although good progress has been made in clinical treatment, further improvement is still needed. In this study, a series of novel Teoptinib derivatives were synthesized and evaluated as anti-cancer agents for the treatment of liver cancer, and an oral nanodrug delivery system was also explored. A series of novel Teoptinib derivatives were synthesized, and an oral nanodrug delivery system was also explored. HPLC, high-resolution mass spectrometer and NMR were used to determine the structure and molecular formula of the synthesized compounds. Zeta potential assay was used to access the particle size distribution and zeta potential of the nanoparticles. MTT assay, cell colony formation assay, cell apoptosis inhibition assay, cell scratch assay, and the MHCC-97H xenograft model of nude mice assay were used to evaluate the in vitro and in vivo anti-tumor activity of the synthesized compounds. Compound (R)-10 showed the best antitumor activity with 0.010 μM of the IC50 value against MHCC-97H, a human liver cancer cell line with high c-Met expression. The MHCC-97H xenograft model of nude mice assay showed that nano-prodrug of compound (R)-10 exhibited good in vivo activity with 87.67% of the TGI at the dosage of 8 mg/kg. We designed and synthesized a series of c-Met inhibitors containing different side chains and chiral centers as anti-liver cancer agents. Among them, compound (R)-10 shows a promising effect as a lead molecule for further study in the treatment of liver cancer. The successful incorporation of (R)-10 into a novel oral nanodrug delivery system highlights the importance of effective drug delivery systems for enhanced therapeutic efficacy.

Molecular Docking of Brazilin from Secang Wood Plant (Caesalpinia sappan L.) as an Anti-Breast Cancer

Breast cancer is a disease characterized by abnormal cell growth, which can invade adjacent tissues or metastasize to other organs. Secang (Caesalpinia sappan L.) is a plant that has been used as an alternative medicine for a variety of health conditions, including some types of cancer. This study aims to determine whether the brazilin compound found in secang wood can interact with the target receptors estrogen alpha, 17-β-HSD-1, and NUDT5, potentially serving as an anticancer candidate. Molecular docking simulations were employed to identify the molecular interactions of brazilin against estrogen receptor alpha (ERα) (PDB ID: 3ERT), 17β-HSD-1 (PDB ID: 3HB5), and NUDT5 (PDB ID: 5NQR) using AutoDockTools software. The results showed that the best free-binding energy (ΔG) value obtained for brazilin against the 17-β-HSD-1 receptor was -9.16 kcal/mol, with an inhibition constant of 192.45 nM. The ΔG value of brazilin with estrogen alpha was -6.68 kcal/mol, and the ΔG value for brazilin against NUDT5 was -4.8 kcal/mol. Brazilin has a higher potency compared to innate ligands based on the docking result of estrogen alpha receptor and NUDT5. Some structural similarities and interactions occurred between the amino acids GLY186 and TYR155 in brazilin with the binding of amino acids formed in the innate ligand against the 17-β-HSD-1 receptor, thus showing similar affinity to the 17-β-HSD1 receptor. In silico approaches provided valuable insights into the potential of brazilin as an anti-breast cancer agent.

Synthesis and in-silico Studies of 4-phenyl thiazol-2-amine Derivatives as Putative Anti-breast Cancer Agents.

Breast cancer (BC) is the second-leading cause of cancer-related fatalities in women after lung cancer worldwide. The development of BC is significantly influenced by estrogen receptors (ERs). The problem with current cancer treatments is selectivity, target specificity, cytotoxicity, and developing resistance. Thiazole scaffolds are gaining popularity in drug discovery due to their broad range of biological activity. It has the extraordinary capacity to control a variety of cellular pathways, and its potential for selective anticancer activity can be explored. Synthesis and in-silico</i> studies of 4-Phenyl thiazol-2-amine derivatives as anti-breast cancer agents and molecular docking was used to assess the compounds' capacity to bind ER-α protein target. In this study, 4-Phenylthiazol-2-amine derivatives (3a-j) have been synthesized, and using Schrodinger software, molecular docking and ADME studies of the compounds were conducted. Most of the synthesized compounds have shown dock scores ranging from -6.658 to - 8.911 kcal/mol, which is better than the standard drug tamoxifen (-6.821 kcal/mol). According to molecular docking, all compounds fit in the protein's active site and have the same hydrophobic pocket as the standard drug tamoxifen. Further, all of the compounds' ADME properties are below acceptable limits. Compound 3e showed the best docking score of -8.911. All compounds' ADME properties are within acceptable limits, and their p/o coefficients fall within a range, suggesting they will all have sufficient absorption at the site of action. These compounds can be evaluated invitro</i> and in-vivo</i> in the future.

New Analogues of the Nicotinamide Phosphoribosyltransferase Inhibitor FK866 as Potential Anti-Pancreatic Cancer Agents.

During the past two decades, many nicotinamide phosphoribosyltransferase (NAMPT) inhibitors were prepared and tested because this enzyme is overexpressed in pancreatic cancer. Although FK866 is a well-known, strong NAMPT inhibitor, it suffers severe drawbacks. Our work aimed to synthesize efficient NAMPT inhibitors featuring better pharmacokinetic properties than the pyridine-containing FK866. To this aim, the new anticancer agents were based on benzene, pyridazine, or benzothiazole moieties as a cap group instead of the pyridine unit found in FK866 and other NAMPT inhibitors. The new compounds, prepared exploiting standard heterocycle chemistry and coupling reactions (e.g., formation of amides, ureas, and cyanoguanidines, copper-mediated azide-alkyne cycloaddition), have been fully characterized using NMR and HRMS analyses. Their activity has been evaluated using cytotoxicity and intracellular NAD depletion assays in the human pancreatic cancer cell line MiaPaCa-2. Among the 14 products obtained, compound 28, bearing a pyridazine unit as the cap group and a thiophene moiety as the tail group, showed 6.7 nanomolar inhibition activity in the intracellular NAD depletion assay and 43 nanomolar inhibition in the MiaPaCa-2 cells cytotoxicity assay, comparable to that observed for FK866. The positive results observed for some newly synthesized molecules, particularly those carrying a thiophene unit as a tail group, indicate that they could act as in vivo anti-pancreatic cancer agents.

The impact of valproic acid administration: Effects on the growth of tongue cancer cells

Background: Tongue cancer represents the predominant malignancy within the oral cavity (25-40% of squamous cell carcinoma), necessitating treatment modalities such as surgery, radiotherapy, and chemotherapy. Valproic acid, an antiepileptic medication, functions as a histone deacetylase inhibitor or activator of anti-tumor signaling pathways. Objective: To deepen our understanding of the effects of valproic acid on the viability, cytotoxicity, proliferation, and migration capabilities of HSC-3 cells. Method: This study employed an in vitro laboratory approach, exposing HSC-3 cells to valproic acid. The experimental groups included a negative control with culture media devoid of valproic acid, and treatment groups exposed to valproic acid at concentrations of 145 ppm, 180 ppm, and 355 ppm, respectively. Results: Significant differences (p-value &lt;0.05) were observed between HSC-3 cells treated with valproic acid (145 ppm, 180 ppm, and 355 ppm) and the control group in terms of viability, cytotoxicity, proliferation, and migration. Reduced cell viability, increased cytotoxicity, and decreased proliferation were noted. Migration assays indicated suppressed migration of HSC-3 cells. Conclusion: In summary, this study reveals that valproic acid exerts substantial effects on various aspects of HSC-3 cell behavior. It decreases cell viability, enhances cytotoxicity, suppresses proliferation, and inhibits cell migration. These findings highlight the potential of valproic acid as a therapeutic agent for tongue cancer by targeting crucial cellular processes involved in cancer progression. Further research and clinical trials are essential to confirm these effects and explore their application in cancer treatment strategies. Novelty/Originality of this article:: This study shows valproic acid has potential as a therapeutic agent for tongue cancer by decreasing cell viability, increasing cytotoxicity, suppressing proliferation, and inhibiting migration of HSC-3 cells. These findings introduce a new application of valproic acid as an anticancer agent, expanding the use of antiepileptic drugs. This study opens up opportunities for developing more effective tongue cancer therapies and encourages further research and clinical trials to validate these findings

MDia2 is an important mediator of MRTF-A-dependent regulation of breast cancer cell migration.

Actin cytoskeletal dysregulation gives rise to metastatic dissemination of cancer cells. This study mechanistically investigates the impact of specific functional disruption of MRTF (a transcriptional co-factor of SRF) on breast cancer cell migration.This study establishes a novel mechanism linking mDia2 to MRTF-dependent regulation of cell migration and provides clinical evidence for the association between MRTF activity and increased malignancy in human breast cancer.Findings from these studies justify future exploration of specific small molecule inhibitor of the MRTF-SRF transcriptional complex as a potential therapeutic agent in breast cancer.

Synthesis, structural analysis, and molecular docking of a novel 1,3,4-thiadiazole derivative: An experimental and molecular modeling studies

This study reports on the synthesis and characterization of a new thiadiazole derivative, (E)-N-(5-(2-nitrostyryl) -4-acetyl -4,5-dihydro -1,3,4-thiadiazol -2-yl) -N-phenylacetamide (ETDZ). The crystal structure was determined by single-crystal X-ray diffraction. ETDZ belongs to the monoclinic I2/a space group. The contribution of intermolecular interactions was assessed by Hirshfeld surface analysis and fingerprint plots. FT-IR, UV–Vis, and NMR (1H and 13C) techniques were used for spectroscopic characterization. The 1H and 13C NMR spectra were recorded in CDCl3 solvent. Density functional theory, employing the B3LYP functional and 6–311G(d,p) basis set in chloroform solvent, was used to calculate the structural and spectroscopic parameters of the molecule in the ground state. The vibrational wavenumbers were calculated and compared with the experimental FT-IR spectrum using the scaled quantum mechanics method. Isotropic chemical shifts were calculated using the Gauge invariant atomic orbital method. The calculated NMR chemical shifts and absorption wavelengths were compared with the experimental values, indicating good results from the DFT and TD-DFT methods. To get more information about charge transfer within the molecule, electronic properties such as HOMO and LUMO energies were studied using the DFT approach. The molecular electrostatic potential, frontier molecular orbital analysis, energy band gap, density of state, global chemical reactivity descriptors, and some thermodynamic functions were also calculated. Reduced density gradient and atom-in-molecule analysis were performed to investigate inter- and intra-non-covalent interactions. Molecular docking was carried out with the Eg5 kinesin protein, confirming the biological assets of the ETDZ ligand as a mitochondria disease and cancer agent.

Efficient Green Synthesis of Hydrazide Derivatives Using L-Proline: Structural Characterization, Anticancer Activity, and Molecular Docking Studies

Green synthesis using L-proline as an organocatalyst is crucial due to its reusability, mild conditions, clean reactions, easy workup, high purity, short reaction times, and high yields. However, existing methods often involve harsh conditions and longer reaction times. In this study, 2-cyano-N’-(2-cyanoacetyl)acetohydrazide (3) was prepared and condensed with various benzaldehyde derivatives to yield 2-cyano-N’-(2-cyano-3-phenylacryloyl)-3-phenylacrylohydrazide derivatives (5a–e, 7a,b) using a grinding technique with moist L-proline. Additionally, three 2-cyano-N’-(2-cyano-3-heterylbut-2-enoyl)-3-heterylbut-2-enehydrazides (9, 11, 13) were synthesized by condensing compound 3 with respective (heteraryl)ketones (8, 10, 12) following the same method. The synthesized compounds were characterized using IR, NMR, and MS spectroscopy. L-proline’s reusability was confirmed for up to four cycles without significant yield loss, showcasing the protocol’s efficiency and sustainability. The new compounds were screened for anticancer activities against the HCT-116 colon carcinoma cell line using the MTT assay. Molecular docking studies revealed the binding conformations of the most potent compounds to the target protein (PDB ID 6MTU), correlating well with in vitro results. In silico ADMET analysis indicated favorable pharmacokinetic properties, highlighting these novel compounds as promising targeted anti-colon cancer agents.

Utilizing biosynthesized nickel(II) oxide nanoparticles in the synthesis of bis(indolyl)arylmethanes with anti-lung cancer properties

The recently prepared nanophotocatalyst Ni-NiO is introduced as an effective mediator in the one-pot two-component synthesis of various substituted bis(indolyl)arylmethanes and as potent anti-lung cancer agent. The inception of this environmental friendly photocatalyst stems from the biosynthesis process utilizing Glycyrrhiza Glabra (licorice) leaves extract that is an active plant with potential applications in lung cancer treatment. Familiar characterization techniques including XPS, UV–Vis, XRD, FT-IR, FE-SEM, TEM, and EDS provided a comprehensive information on the physicochemical properties of Ni-NiO nanoparticles. Subsequently, the Ni-NiO nanophotocatalyst was harnessed for the synthesis of bis(indolyl)arylmethanes under visible light. The utilized photocatalyst underscored reasonable stability, reusability, and practical utility. Moreover, cytotoxicity evaluations employing the MTT experiment on A549 lung cancer cell line proved promising potential of Ni-NiO nanoparticles and bis(indolyl)phenylmethane in inhibiting cancer cell proliferation. Findings revealed that both biosynthesized Ni-NiO nanoparticles and the tested bis(indolyl)phenylmethane have sufficient therapeutic potential against the performed cancer cell line. This innovative approach represents a significant contribution to the field of cancer research and underscores the potential for developing next-generation cancer treatments.

Fungi-Derived Bioactive Compounds as Potential Therapeutic Agents for Pancreatic Cancer: A Systematic Review.

Pancreatic cancer (PC) is one of the tumors with the lowest 5-year survival rate worldwide due to late diagnosis and lack of effective therapy. Because of this, it is necessary to discover new ways of treatment to increase the quality of life of patients. In this context, the secondary metabolites of several fungi have been shown as a possible therapeutic strategy in several types of cancer, such as colorectal cancer, being able to trigger their action through the induction of apoptosis. The objective was to perform a systematic review process to analyze the studies carried out during the last ten years using secondary metabolites derived from fungi as antitumor treatment against PC. After the search process in three databases (PubMed, SCOPUS, and Web of Science) a total of 199 articles were found, with 27 articles finally being included after screening. The results extracted from this systematic review process made it possible to determine the existence of bioactive compounds extracted from fungi that have been effective in in vitro and in vivo conditions and that may be applicable as a possible therapy to avoid drug resistance in PC, one of the major problems of this disease.

New 1H-1,2,3-triazole analogues of boswellic acid are potential anti-breast cancer agents

In this work, we describe the synthesis of 12 new pentacyclic triterpene amides (3a-3l) and 11 new 1H-1,2,3-triazole analogues (5a-5k) of 3-O-acetyl-11-keto-β-boswellic acid (β-AKBA) and evaluated them for their human breast cancer (MDA-MB-231) growth inhibitory activities. The resulting compounds were characterized by 1H NMR, 13C NMR, and HR-ESI-MS spectroscopy. X-ray crystallography unambiguously confirmed the exact structure of compound 3a. The cytotoxic potential of the synthesized compounds was scrutinized against triple-negative breast cancer (MDA-MB-231) and normal (MCF-10A) cell lines. Furthermore, all the synthesized derivatives exhibited significant anti-proliferative activities with IC50 values ranging from 8.1 ± 0.2 to 18.5 ± 0.4 μM. Among them, compounds 5a and 5i exhibited noteworthy activities and were several times more potent than the parent compound β-AKBA. Furthermore, molecular docking analysis predicted that these molecules exhibit their anti-proliferative effects by binding to the folate receptor alpha (FRα). Overall, this new study may pave the way to medicinal analogues of β-AKBA as anti-breast cancer agents.

Imidazole-based hydrazones as potent anti-colon cancer agents: Design, synthesis, biological evaluation and computational studies

Compounds containing imidazole and hydrazone structural frameworks have been widely studied and demonstrated to exhibit a wide range of pharmacological properties. In this study, a descriptive series of 20 new hybrid compounds composed of an imidazole ring and a hydrazone moiety were designed and synthesized through multistep chemical reactions. Synthesized compounds were characterized by various spectral techniques, including FT-IR, 1H NMR, 13C NMR and HRMS. Furthermore, the proposed structure of AB-1 was resolved by single-crystal X-ray analysis. The compounds were evaluated for their in vitro anti-colon cancer activity, and the most promising compounds (i.e., AB-6, AB-9, AB-11 and AB-18) exhibited significant dose- and time-dependent cytotoxicity with selectivity to HT-29 and HCT-116 cells. In addition, Molecular docking, molecular dynamics simulations, and binding free energy analyses were carried out to better understand the structure-activity relationships and mechanisms of action of the potential anticancer agents. Our preliminary findings suggest that compounds AB-6, AB-9, AB-11, and AB-18 could be exploited as a leading structure for further anticancer drug development.