Breast Cancer Cell Line MCF-7 Research Articles

Bio fabricated palladium nano particles using phytochemicals from aqueous cranberry fruit extract for anti-bacterial, cytotoxic activities and photocatalytic degradation of anionic dyes.

The low cost and ecological compatibility of green technology makes it superior to chemical approaches in the generation of metal nanoparticles. The current study shows the use of cranberry fruit extract in the environmentally friendly green production of palladium nanoparticles. It is well known that the fruit extract from cranberries has a rich phytochemical composition that makes it a useful bio reducing agent for the formation of PdNPs. Several spectroscopic techniques, including ultraviolet-visible spectroscopy (UV-vis), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and energy-dispersive X-ray spectroscopy (EDX), were used to characterize the palladium nanoparticles (PdNPs). The diffractogram of the XRD analysis shows significant reflections at 39.98° (111), 46.49° (200), and 67.95° (220), which indicate the face-centered cubic (FCC) structure of PdNPs and demonstrate the crystallinity of the produced nanoparticles from the green method. The SEM and TEM structural and morphological analyses reveal that the synthesized nanoparticles have a spherical shape with size ranging between 2 nm to 50 nm. In addition, the synthesized PdNPs demonstrated possible antibacterial activity on both Gram-positive and Gram-negative bacteria as well as a cytotoxic effect on the MCF-7 breast cancer cell line. The degradation of Indigo Carmine (IC) and Sunset Yellow (SY) dyes can be effectively catalyzed by biogenic PdNPs, according to the results.

Identification and bioactivity evaluation of twelve previously undescribed depsidone derivatives from Garcinia oligantha

AbstractPhytochemical studies on the leaves and twigs of Garcinia oligantha Merr. led to the isolation of twelve previously undescribed depsidone derivatives (oliganthdepsidones A-L, 1–12). Their structures were elucidated by extensive spectroscopic analysis including 1H and 13C NMR, HSQC, HMBC and NOESY along with HRESIMS. The structures of oliganthdepsidones G and J were finally determined using DFT-NMR chemical shift calculations and DP4+ methods. Cytotoxicity test in four human cancer cell lines indicated that oliganthdepsidone F had relatively strong cytotoxic effect against A375 (melanoma), A549 (lung cancer), HepG2 (liver cancer), and MCF-7 (breast cancer) cell lines with IC50 of 18.71, 15.44, 10.92, and 15.90 μM, respectively. The dose- and time-dependent antiproliferative effects of oliganthdepsidone F on these cell lines were also observed by CCK-8 test. As determined by fluorescent microscopy and flow cytometry in these cell lines, oliganthdepsidone F could promote cell apoptosis, leading to the inhibition of cell proliferation. The results of wound healing assay and transwell assay showed that oliganthdepsidone F could inhibit the migration and invasion of A549 and MCF-7 cell lines in a concentration-dependent manner.

New substituted benzoxazine derivatives as potent inducers of membrane permeability and cell death

The search for new agents targeting different forms of cell death is an important research focus for developing new and potent antitumor therapies. As a contribution to this endeavor, we have designed and synthesized a series of new substituted 3,4-dihydro-2H-1,4-benzoxazine derivatives. These compounds have been evaluated for their efficacy against MCF-7 breast cancer and HCT-116 colon cancer cell lines. Overall, substituting this heterocycle led to improved antiproliferative activity compared to the unsubstituted derivative 1. The most active compounds, 2b and 4b, showed IC50 values of 2.27 and 3.26 μM against MCF-7 cells and 4.44 and 7.63 μM against HCT-116 cells, respectively. To investigate the mechanism of action of the target compounds, the inhibition profile of 8 kinases involved in cell signaling was studied highlighting residual activity on HER2 and JNK1 kinases. 2b and 4b showed a consistent binding mode to both receptor kinases, establishing significant interactions with known and catalytically important domains and residues. Compounds 2b and 4b exhibit potent cytotoxic activity by disrupting cell membrane permeability, likely triggering both inflammatory and non-inflammatory cell death mechanisms. This dual capability increases their versatility in the treatment of different stages or types of tumors, providing greater flexibility in clinical applications.

Synthesis, In vitro and In silico Studies of Novel Bis-triazolopyridopyrimidines from Curcumin Analogues as Potential Aromatase Agents.

Breast cancer remains a major global health issue, particularly affecting women and contributing significantly to mortality rates. Current treatments for estrogen receptor-positive breast cancers, such as aromatase inhibitors, are effective but often come with side effects and resistance issues. This study addresses these gaps by targeting aromatase, an enzyme crucial for estrogen synthesis, which plays a pivotal role in breast cancer progression. The innovative approach involves synthesizing novel bis-triazolopyridopyrimidines, designed to leverage the combined pharmacological benefits of pyridopyrimidine and 1,2,4-triazole structures, known for their potent aromatase inhibition and anti-cancer properties. These compounds were synthesized and characterized using 1H-NMR, 13C-NMR, and MS spectral analyses, and their anticancer efficacy was evaluated through MTT assays against MCF-7 breast cancer cell lines in vitro. Molecular docking analyses revealed strong binding energies with aromatase, particularly for compounds 5 b, 5 c, 10 a, and 10 b, indicating their potential as effective aromatase inhibitors. The study highlights these compounds as promising candidates for further development as therapeutic agents against breast cancer.

Studies in synthesis and anticancer activity of 6-aminocoumarin/piperazine hybrids

Breast cancer and lung cancer causes a high rate of mortality all over the world. Pursuing our efforts toward searching for efficient anticancer agents herein a series of coumarin/piperazine hybrids 10a-f, 12a-d, 14 were synthesized and subsequently assessed for their potential In Vitro anticancer activity, against A549 (Lung cancer) and MCF-7 (breast cancer) cell lines using MTT assay. Encouragingly, all the synthesized compounds displayed varying degrees of effectiveness, ranging from good to moderate activity against these two cancer cell lines. However, amongst all the compounds synthesized, compound 12c exhibited notably higher potency against both A549 and MCF-7 cell lines, with an IC50 of 0.40 µM and 0.51 µM, respectively. Additionally, the study delved deeper by conducting EtBr/AO assays, unveiling the induction of apoptosis. Furthermore, investigations into Reactive Oxygen Species (ROS) were conducted by using DCFH-DA dye. To understand the behavioral patterns and selectivity of the synthesized compounds, computational techniques were employed alongside experimental analysis. Utilizing density functional theory (DFT) calculations, electronic and structural characteristics were determined for compound 12c These calculations were then compared and associated with the observed biological effects. Additionally, molecular docking was utilized to investigate how compounds 12c interacted with crucial apoptotic genes, specifically targeting p53 and caspase 3. Compound 12c exhibited docking scores of −8.4 kcal/mol and −7.9 kcal/mol for p53 and caspase 3 respectively. Lastly, an in Silico ADME study was performed to evaluate the compounds’ potential as drug candidates.

Amino acid deprivation in cancer cells with compensatory autophagy induction increases sensitivity to autophagy inhibitors

ABSTRACT Inhibition of autophagy is an important strategy in cancer therapy. However, prolonged inhibition of certain autophagies in established cancer cells may increase therapeutic resistance, though the underlying mechanisms of its induction and enhancement remain unclear. This study sought to elucidate the mechanisms of therapeutic resistance through repeated autophagy inhibition and amino acid deprivation (AD) in an in vitro model of in vivo chronic nutrient deprivation associated with cancer cell treatment. In the human cervical cancer cell line HeLa and human breast cancer cell line MCF-7, initial extracellular AD induced the immediate expression of endosomal microautophagy (eMI). However, repeated inhibition of eMI with U18666A and extracellular AD induced macroautophagy (MA) to compensate for reduced eMI, simultaneously decreasing cytotoxicity. Here, hyperphosphorylated JNK was transformed into a hypophosphorylated state, suggesting conversion of the cell death signal to a survival signal. In a nutrient medium, cell death could not be induced by MA inhibition. However, since LAT1 inhibitors induce intracellular AD, combining them with MA and eMI inhibitors successfully promoted cell death in resistant cells. Our study identified a novel therapeuic approach for promoting cell death and addressing therapeutic resistance in cancers under autophagy-inhibitor treatment.

Synthesis and characterization of phthalimide-based niosomes and its investigation as a nano-drug delivery carrier to enhance the therapeutic efficacy of curcumin

To enhance the bioavailability and solubility issues of hydrophobic drugs, the development of cost-efficient nonionic surfactants has attracted scientific interest. The current study focuses on the development of phthalimide-based nonionic surfactant N, N-DPD, and its investigation as a niosomal drug delivery system for enhancing the therapeutic efficacy of curcumin (CUR). Phthalimide-based nonionic surfactant was prepared via aliphatic nucleophilic substitution reaction and characterized by diverse analytical techniques by EI-MS,1H-NMR, and 13C-NMR spectroscopy. Furthermore, the biocompatibility and non-cytotoxicity were evaluated through an MTT assay against the NIH/3T3 cell line. The outcomes showed that the average size of N, N-DPD, and CUR-N, N-DPD vesicles were (277.4 ± 6.2) and (564.7 ± 28.1) nm, and negative zeta potential values (−28.3 ± 1.28) and (−29.2 ± 1.21) mV of these niosomal vesicles were evidence their higher stability. The developed N, N-DPD, and CUR-N, N-DPD vesicles show nearly spherical morphology as elucidated by AFM and SEM images. The CUR-N, N-DPD niosomes showed high drug encapsulation efficiency of about 64.1 ± 10.6 % and higher drug release of 80 ± 2.45 % at pH 6.8. The designed CUR-N, N-DPD niosomal vesicles depicted enhanced anti-inflammatory efficacy when tested against ROS and NO generation in comparison with CUR alone. Moreover, our developed CUR-N, N-DPD vesicles show a significant apoptotic effect against the MCF-7 breast cancer cell line and compared with CUR. The outcomes of the study showed that our developed CUR-N, N-DPD vesicles are efficient in enhancing the therapeutic efficacy of CUR.

Estrogen receptor alpha (ER-α) antagonistic activity of phytoconstituents from Potentilla atrosanguinea and Potentilla fulgens in breast cancer

The Potentilla genus has long been used traditionally as food and a folklore medicine. In the present study, aerial parts of two Potentilla species, Potentilla fulgens and Potentilla atrosanguinea, of western Himalayan origin, were studied for their anti-breast cancer activity. Ethyl acetate (PAA-EA, PFA-EA), methanolic (PAA-ME, PFA-ME) and hydro-methanolic extract (PAA-HM, PFA-HM) of the plants were tested for their antiproliferative activities against MCF-7 and T-47D breast cancer cell lines. The extracts showed good antiproliferative activity against ER-α dominant breast cancer cell line T-47D, having IC50 values 6.19 ± 0.01 to 33.23 ± 0.04 μg/ml. Eight compounds were isolated, characterized, and quantified from ethyl acetate and methanolic extracts by column chromatography, 1D, 2D-NMR, HRMS and TLC densitometric analysis. Two compounds (4 and 6) have shown better antiproliferative activity than standard bazedoxifene and were further evaluated for their ER-α binding affinity via—fluorescence polarization-based competitive binding assay. The antiestrogenic properties of both compounds were assessed using western blotting. Compounds 4 and 6 were found to have significant affinity for the ER-α and managed to decrease its expression by 38 and 54% respectively. Compounds 4 and 6 also had good stability and reactivity as measured by minimal fluctuations in molecular dynamic simulation analysis, a good dock score in molecular docking, and a respectable HOMO-LUMO energy gap in DFT calculations. Compounds 4 and 6 have shown reliable results and can be used in the development of natural product-based anti-breast cancer agents.

Riboflavin-Induced DNA Damage and Anticancer Activity in Breast Cancer Cells under Visible Light: A TD-DFT and In Vitro Study.

Targeted treatments for breast cancer that minimize harm to healthy cells are highly sought after. Our study explores the potentiality of riboflavin as a targeted anticancer compound that can be activated by light irradiation. Here, we integrated time-dependent density functional theory (TD-DFT) calculations and an in vitro study under visible light. The TD-DFT calculations revealed that the electronic charge transferred from the DNA base to riboflavin, with the most significant excitation peak occurring within the visible light range. Guided by these insights, an in vitro study was conducted on the breast cancer cell lines MCF-7 and MDA-MB-231. The results revealed substantial growth inhibition in these cell lines when exposed to riboflavin under visible light, with no such impact observed in the absence of light exposure. Interestingly, riboflavin exhibited no/minimal growth-inhibitory effects on the normal cell line L929, irrespective of light conditions. Moreover, through EtBr displacement (DNA-EtBr) and the TUNEL assay, it has been illustrated that, upon exposure to visible light, riboflavin can intercalate within DNA and induce DNA damage. In conclusion, under visible light conditions, riboflavin emerges as a promising candidate with a selective and effective potent anticancer agent against breast cancer while exerting a minimal influence on regular cellular activity.

RETRACTED: Chemical free, bio-Intercalation of selenium nanoparticles for highly accelerated photo-responsive of organic contaminants debasement and their in-vitro anti-bacterial agents, anti-oxidants effect, cyto-toxic analysis

This study investigates the use of Excoecaria agallocha leaves as a bio-template for the intercalation of Selenium nanoparticles (SeNPs). The synthesized SeNPs were characterized using techniques like SEM-EDX, TEM/HR-TEM, and XRD spectroscopic studies. The study found that SeNPs showed maximum cleaning ability at a dosage of 50 μl/mL, with 95% inhibition of DPPH radicals. However, cellular absorption was limited to 55% at concentrations of 300 μg/L over a 72-h period. The synthesized SeNPs also demonstrated a strong cytotoxic effect on MCF-7 breast cancer cell lines, indicating their potential as anti-cancer agents. Further research is needed to fully explore the potential of these novel nanocomposites.

Inducing breast cancer cell death: The impact of taxodone on proliferation through apoptosis

Breast cancer is the most prevalent form of cancer in women and a major contributor to cancer-related fatalities worldwide. Several factors play a role in the development of breast cancer, encompassing age, hormone levels, etc. Taxodone has shown significant anti-tumor properties in both laboratory experiments and living organisms. However, its impact on the human MCF-7 breast cancer cell line has not been researched. This investigation explores the chemo-preventive potential of taxodone in the MCF-7 breast cancer cells. The anticancer potential of taxodone against MCF-7 cells was determined by MTT assay. Further, the induction of apoptosis in MCF-7 breast cancer cells was confirmed via ELISA, which indicated the increased incidences of chromatin condensation and ssDNA breakage in the MCF-7 apoptotic cells upon 24 h of taxodone treatment. The intracellular reactive oxygen species (ROS) level was evaluated using H2DCFDA fluorescent dye to elucidate the mechanism of action triggered upon taxodone treatment. The increasing intercellular ROS level sequentially activated the caspase-mediated apoptosis pathway. Consequently, the outcomes revealed that taxodone decreased the cell viability of MCF-7 dose-dependently. Taxodone triggers apoptosis in MCF-7 cells by increasing intracellular ROS levels and activating the caspase cascade through the mitochondrial apoptosis-induced channel, an early marker of apoptosis onset. Our results indicate that taxodone exhibits anti-proliferative and apoptotic properties against human MCF-7 breast cancer cells, suggesting it to be a natural anticancer agent.

Green synthesis of Curcuma longa-mediated Palladium nanoparticles as antioxidant, antimicrobial, and anticancer agents

The biosynthesis of nanomaterials using plants has become a promising substitute for conventional chemical and physical methods. This study aims to produce Palladium nanoparticles (PdNPs) utilizing Turmeric (Curcuma longa) extract and assess their pharmacological application as antioxidant, antifungal, antibacterial, and anticancer agents. PdNPs were characterized using transmission electron microscopy, field emission scanning electron microscopy, X-ray diffraction, Fourier transform infrared, and ultraviolet–visible spectroscopy. PdNPs showed antioxidant activity using the DPPH assay at all tested concentrations. The percentage of scavenging effect for 130 µg/mL PdNPs was 33 %. PdNPs at the same concentration showed noticeable antifungal and antibacterial activity using the agar well diffusion method against candida species and Escherichia coli within an inhibition range of 17 mm and 20 mm, respectively. Also, PdNPs exhibited significant cytotoxic activity at all tested concentrations using an MTT assay against the MCF-7 breast cancer cell line. MCF-7 cell viability declined to 26.53 % in the treated cells at 130 µg/mL. In conclusion, our findings demonstrate the simplicity and efficiency of synthesizing PdNPs using Curcuma longa extract in an eco-friendly manner and their significant antifungal, antibacterial, and anticancer potential.

Analysis of Carboplatin and STAT3 in the Breast Cancer MCF7 Cell Line

Analysis of Carboplatin and STAT3 in the Breast Cancer MCF7 Cell Line

Synthesis, Characterization and Anticancer Activity of Chitosan Schiff Base / PEG Blend Doped with Gold and Silver Nanoparticles in Treatment of Breast Cancer Cell Line MCF-7

In the present study, chitosan Schiff base has been prepared from chitosan reaction with the para chloro benzaldehyde. The AuNPs and AgNPs were manufacture by extract of onion peels as a reducing agent. The AuNPs and AgNPs that have been synthesized were characterized through UV-vis spectroscopy the XRD analyses and SEM microscopy. The polymer blends of the chitosan / PEG has been prepared through using the approach of solution casting. Chitosan Schiff base / PEG Au and Ag nano-composites were synthesized nano composites and polymer blends have been characterized by FTIR which confirm the formation of Schiff base by revealing a new band of absorption at 1693 cm-1 as a result of the (C=N) imine group. FESEM, DSC and TGA confirms the thermal stability of the prepared polymer blends and nanocomposites, nano composites have shown good results in inhibiting breast cancer cell line MCF-7, IC50 of nanocomposite = 19.44 µg / mL.

Safe and effective degradation of aflatoxins by food-grade culture broth of Aspergillus oryzae.

Aflatoxins (AFs) are carcinogenic fungal toxins contaminating up to 25% of the global food supply. Over half of the world's population is exposed to unmonitored levels of AFs, mostly aflatoxin B1 (AFB1). Despite numerous efforts over the past 60 years, there are no solutions to remove AFs safely from food. Here, we present a safe and effective AF-degrading product called "D-Tox", a filtered culture broth of Aspergillus oryzae grown in a food-grade liquid medium. When 5 ppm of AFB1 is added to D-Tox, ∼90% is degraded at 48 and 24 hr at room temperature and 50°C, respectively. Moreover, when varying amounts (0.1 ppm ∼ 100 ppm) of AFB1 are added to D-Tox at 100°C, over 95% of AFB1 is degraded in 1 hr, suggesting a nonenzymatic process. Examining degradation of 100 ppm AFB1 reveals that aflatoxin D1 (AFD1) is the major transient degradant of AFB1, indicating that degradation occurs irreversibly by lactone ring hydrolysis followed by decarboxylation. D-Tox further degrades AFD1 to unknown fragmented products. Importantly, the practical application of D-Tox is also demonstrated, as more than 70% of AFB1 is degraded when wheat, corn, and peanuts naturally contaminated with high levels of AFB1 (0.3 ∼ 4.5 ppm) are boiled in D-Tox for 1 hr. Additionally, D-Tox can degrade other lactone-ring containing mycotoxins, including patulin and ochratoxin. D-Tox exhibits no cytotoxicity under the conditions tested in MCF-7 breast cancer cell lines. In summary, D-Tox is a safe and effective AF-detoxifying product that can enhance global food safety.

The Composition of Triterpene Glycosides in the Sea Cucumber Psolus peronii: Anticancer Activity of the Glycosides against Three Human Breast Cancer Cell Lines and Quantitative Structure-Activity Relationships (QSAR).

Eight sulfated triterpene glycosides, peronioside A (1) and psolusosides A (2), B (3), G (4), I (5), L (6), N (7) and P (8), were isolated from the sea cucumber Psolus peronii. Peronioside A (1) is a new glycoside, while compounds 2-8 were found previously in Psolus fabricii, indicating the phylogenetic and systematic closeness of these species of sea cucumbers. The activity of 1-8 against human erythrocytes and their cytotoxicity against the breast cancer cell lines MCF-7, T-47D and triple-negative MDA-MB-231 were tested. The most active against cancer cell compounds, psolusosides A (2) and L (6), which were not cytotoxic to the non-transformed cells of the mammary gland, were chosen to study the inhibition of the migration, formation and growth of colonies of the cancer cell lines. Glycoside 2 effectively inhibited the growth of colonies and the migration of the MDA-MB-231 cell line. Compound 6 blocked the growth of colonies of T-47D cells and showed a pronounced antimigration effect on MDA-MB-231 cells. The quantitative structure-activity relationships (QSAR) indicated the strong impact on the activity of the form and size of the molecules, which is connected to the length and architecture of the carbohydrate chain, the distribution of charge on the molecules' surface and various aspects of hydrogen bond formation, depending on the quantity and positions of the sulfate groups. The QSAR calculations were in good accordance with the observed SAR tendencies.

Characterization of silver nanoparticles (AgNPs) synthesized using polyphenolic compounds from Phyllanthus emblica L. and their impact on cytotoxicity in human cell lines

The Phyllanthus emblica L. highly medicinal value used for jaundice, anticancer, antioxidant, antiviral, antimicrobial etc., activities so for that current research explored the application of nanotechnology in developing anticancer strategies through the synthesis of silver nanoparticles (AgNPs) using natural extracts from leaves. Various characterization techniques were employed to assess the anticancer properties against the human MCF-7 Breast Cancer Cell Line. This study in UV‒visible spectroscopy AgNPs detected at 436 nm, FT-IR analysis indicated the presence of specific functional groups with high peak intensity at 3105 cm−1. In SEM measurements revealed synthesized AgNPs at 25.4 nm, TEM exposed perfectly round particles with a lattice spacing of 0.295 nm, and XRD analysis revealed reflections at (111), (200), (220), and (310) with corresponding 2θ values of 39.1°, 46.1°, 68.7°, and 79.2°, respectively, along with the observation of (311). EDX analysis confirmed the composite nature of quartz with AgNPs at a 50:50 ratio. Atomic force microscopy (AFM) images of AgNPs 30 nm in size. Furthermore, breast cancer one of the major disease, targeted application of our study focused anticancer activity against MCF-7 breast cancer cell line, observed that plant extract exhibits 92% cancer cell death at 500 µg/ml, showed potential anticancer activity against breast cancer cells. In flowcytometry cancer cells phase distribution was observed at AgNPs (100 to 200 µg/ml). Prolonged exposure to the extract led to cell death and arrested the apoptotic cell death cycle after 24 hours. Research has also evaluated the potential of nanoparticles to inhibit cancer progression, revealing promising prospects for enhancing anticancer therapies. During the treatment against cancer cells observed cell deaths, concluded that green, nanotechnology potential tool for modern world.

Synthesis of a New Class of β-Carbonyl Selenides Functionalized with Ester Groups with Antioxidant and Anticancer Properties-Part II.

A series of phenyl β-carbonyl selenides with o-ester functionality substituted on the oxygen atom with chiral and achiral alkyl groups was synthesized. All compounds are the first examples of this type of organoselenium derivatives with an ester substituent in the ortho position. The obtained derivatives were tested as antioxidants and anticancer agents to see the influence of an ester functionality on the bioactivity of β-carbonyl selenides by replacing the o-amide group with an o-ester group. The best results as an antioxidant agent were observed for O-((1R,2S,5R)-(-)-2-isopropyl-5-methylcyclohexyl)-2-((2-oxopropyl)selanyl)benzoate. The most cytotoxic derivative against breast cancer MCF-7 cell lines was O-(methyl)-2-((2-oxopropyl)selanyl)benzoate and against human promyelocytic leukemia HL-60 was O-(2-pentyl)-2-((2-oxopropyl)selanyl)benzoate.

Structural Design, Anticancer Evaluation, and Molecular Docking of Newly Synthesized Ni(II) Complexes with ONS-Donor Dithiocarbazate Ligands.

The current article reports the investigation of three new Ni(II) complexes with ONS-donor dithiocarbazate ligands: [Ni(L1)PPh3] (1), [Ni(L2)PPh3] (2), and [Ni(L2)Py] (3). Single-crystal X-ray analyses revealed mononuclear complexes with a distorted square planar geometry and the metal centers coordinated with a doubly deprotonated dithiocarbazate ligand and coligand pyridine or triphenylphosphine. The non-covalent interactions were investigated by the Hirshfeld surface and the results revealed that the strongest interactions were π⋅⋅⋅π stacking interactions and non-classical hydrogen bonds C-H···H and C-H···N. Physicochemical and spectroscopic methods indicate the same structures in the solid state and solution. The toxicity effects of the free ligands and Ni(II) complexes were tested on the human breast cancer cell line MCF-7 and non-malignant breast epithelial cell line MCF-10A. The half-maximal inhibitory concentration (IC50) values, indicating that the compounds were potent in inhibiting cell growth, were obtained for both cell lines at three distinct time points. While inhibitory effects were evident in both malignant and non-malignant cells, all three complexes demonstrated lower IC50 values for malignant breast cell lines than their non-malignant counterparts, suggesting a stronger impact on cancerous cell lines. Furthermore, molecular docking studies were performed showing the complex (2) as a promising candidate for further therapeutic exploration.

New bioactive titanium(IV) derivatives with their DFT, molecular docking, DNA/BSA interaction, antioxidant and in-vitro investigations

A set of four new metallacyclic complexes titanium(IV) associated with Schiff bases (SBs) (1a- 1d) obtained by the specific reactions of β-diketones such as acetylacetone (acacH) and benzyl acetone (bzacH) and aminophenol derivatives while treating Ti(OPri)4 and these SBs individually in 1:2 stoichiometry under 8 h reflux condition in anhydrous benzene to afford as reddish powder (2a-2d). These products have been purified in repeated washings of dry n-hexane afterwards, subjected to characterization by suitable spectroscopic techniques (NMR, IR, UV–Vis and HRMS). These hexacoordinated complexes appeared as distorted octahedral geometry from computational data studies. The synthesized titanium(IV) complexes were screened for their antioxidant abilities where 2c and 2d exhibited remarkable activity as IC50 values. The DNA & BSA binding properties of the complexes (2a-2d) have also been investigated through electronic absorption and molecular docking analysis. The obtained results indicated clearly that the complexes got bound with DNA via groove binding mode according to the intrinsic binding constant values (Kb = 1.5 × 104 M−1 to 7.5 × 105 M−1). Derivative 2c was examined in-vitro on a panel of cancerous cell line − breast cancer and human colon cell lines MCF-7 to reflect IC50 results as 53.92 μg/mL and HT-29 33.43 μg/mL, respectively.