Bioorganic Chemistry

Isoxazole-pyrimidine derivatives as TACC3 inhibitors: A novel modality to targeted cancer therapy

Site-specific propynylation modification of apigeninidin enhances anti-cervical cancer activity by targeting PARP-1

Apigeninidin (APN) is a flavonoid belonging to the 3-deoxyanthocyanidin family, exhibiting diverse biological activities and representing a potential natural antitumor compound. However, the poor lipophilicity and cell membrane permeability of APN limit its bioavailability and antitumor activity. To overcome these limitations, we designed a site-specific propynylation strategy and synthesized two derivatives, APN-A and APN-B, investigating how targeted modification alters APN's antitumor activity. Comparative analysis of the physicochemical properties and bioactivities of these compounds revealed that APN-A exhibited significantly enhanced cell membrane permeability and increased anticancer activity against cervical cancer cells compared to the parent compound APN. In vitro experiments further demonstrated that APN-A can dramatically reduce the viability of cervical cancer cells, inhibited cell proliferation and migration, and synergistically potentiate the antitumor efficacy of 5-fluorouracil (5-FU). In addition, chemical proteomics enrichment analyses indicated that APN-A shows its antitumor effects primarily by targeting and inhibiting processes such as DNA replication and protein transcription-translation in cancer cells via targeting proteins such as PARP-1, EIF3J, and TCEA1. These findings provide a methodological reference and mechanistic insight for the propynyl modification of APN, and highlight its potential applications in the food industry and drug development.

Design and synthesis of novel quinoline-chalcone derivatives as dual inhibitors of tubulin polymerization and P-glycoprotein to overcome cisplatin resistance in cervical cancer

Cervical cancer remains a major cause of cancer death in women, often limited by cisplatin resistance. To overcome multidrug resistance (MDR), we designed and synthesized 23 novel quinoline-chalcone derivatives targeting both P-glycoprotein (P-gp) and the colchicine-binding site (CBS) of tubulin. Among them, compound 6h exhibited the most potent anti-proliferative activity against both cisplatin-sensitive HeLa cells (IC₅₀ = 6.69 μM) and cisplatin-resistant HeLa/DDP cells (IC₅₀ = 7.21 μM). The potency of compound 6h was superior than cisplatin (HeLa: 15.54 μM; HeLa/DDP: 94.32 μM) while displaying lower cytotoxicity towards normal cervical cells than cisplatin. Compound 6h demonstrated lower cisplatin resistance index (RI) in the HeLa/DDP cells than verapamil (RI: 1.27 vs. 2.22). Mechanistic studies demonstrated that compound 6h inhibited tubulin polymerization and induced G₂/M arrest and apoptosis in both the cell lines. Compound 6h reversed MDR by inhibiting P-gp efflux function, as evidenced by rhodamine 123 accumulation in HeLa/DDP cells. Molecular docking and dynamics simulations provided structural insights, confirming stable binding of 6h to the tubulin CBS (ΔG = -12.4 kcal/mol) and the P-gp hydrophobic lumen (ΔG = -10.8 kcal/mol). Zebrafish acute toxicity assay results demonstrated that the safety profile of compound 6h (0 % mortality at 400 μM) was superior than cisplatin (16.7 % mortality rate at 8 μM). To the best of our knowledge, compound 6h is the first reported quinoline-chalcone derivative with dual functions: direct antitumor activity and reversal of P-gp-mediated cisplatin resistance. Our results suggest that compound 6h is a promising compound and represents a novel strategy for combating drug-resistant cervical cancer.

Design, synthesis, and in vitro and in vivo anti-drug resistant cervical cancer activity of novel licochalcone A derivatives based on dual targeting of VEGFR-2/P-gp

Targeting the VEGF/VEGFR-2 signaling pathway is considered to be an effective strategy for the treatment of cervical cancer, and multidrug resistance in cervical cancer has now been widely demonstrated to be caused by the upregulation of P-gp. This study designed and synthesized a series of novel licochalcone A derivatives using licochalcone A as the lead compound and VEGFR-2 and P-gp as the action targets. The principle of active substructure splicing was employed to design and synthesize a series of novel licochalcone A derivatives and to preliminarily evaluate the in vitro and ex vivo anti-cancer active effects of the target compounds. The results showed that the IC

Design, synthesis, and ex vivo anti-drug resistant cervical cancer activity of novel molecularly targeted chalcone derivatives

Chemotherapy toxicity and tumor multidrug resistance remain the main reasons for clinical treatment failure in cervical cancer. In this study, 79 novel chalcone derivatives were designed and synthesized using the principle of active substructure splicing with the parent nucleus of licorice chalcone as the lead compound and VEGFR-2 and P-gp as the target of action and their potentials for anticervical cancer activity were preliminarily evaluated. The results showed that the IC

Gracilaria edulis-mediated silver nanoparticles as a targeted strategy for cervical cancer with integrated toxicity evaluation in zebrafish

Cervical cancer remains a critical global health concern, demanding the development of innovative therapies to address the limitations of conventional chemotherapeutics, including systemic toxicity and lack of specificity. Silver nanoparticles synthesized using Gracilaria edulis (GE-AgNPs) present a novel therapeutic strategy, exhibiting selective cytotoxicity against the HEK293 normal epithelial cell line and HeLa cervical cancer cell line. Phytochemical analysis of Gracilaria edulis identified bioactive compounds such as 4-Benzaldehyde and 1H-1,3-Benzimidazole-1-acetonitrile, both associated with potent anticancer activities. Comprehensive characterization of GE-AgNPs through spectroscopy and microscopy revealed distinctive physicochemical properties, including an absorption peak at 332 nm and a hexagonal crystalline structure. Cytotoxicity assays confirmed that GE-AgNPs induce apoptosis in HeLa cells exhibit a concentration-dependent response, with an IC

Design and synthesis of novel imidazole-chalcone derivatives as microtubule protein polymerization inhibitors to treat cervical cancer and reverse cisplatin resistance

Using the licochalcone moiety as a lead compound scaffold, 16 novel imidazole-chalcone derivatives were designed and synthesized as microtubule protein polymerization inhibitors. The proliferation inhibitory activities of the derivatives against SiHa (human cervical squamous cell carcinoma), C-33A (human cervical cancer), HeLa (human cervical cancer), HeLa/DDP (cisplatin-resistant human cervical cancer), and H8 (human cervical epithelial immortalized) cells were evaluated. Compound 5a exhibited significant anticancer activity with IC

A combined network pharmacology and molecular biology approach to investigate the potential mechanisms of G-M6 on ovarian cancer

Ginsenoside 3β,12β,21α,22β-Hydroxy-24-norolean-12-ene (G-M6), a phase I metabolite of anti-tumor medication 20(R)-25-methoxyl-dammarane-3β,12β,20-triol (AD-1), beats the parent drug in anti-ovarian cancer efficacy. The mechanism of action for ovarian cancer, however, is uncertain. Using network pharmacology, human ovarian cancer cells and nude mouse ovarian cancer xenotransplantation model, the anti-ovarian cancer mechanism of G-M6 was preliminarily explored in this study. The PPAR signal pathway is the key signal pathway of the G-M6 anti-ovarian cancer mechanism, according to data mining and network analysis. Docking tests demonstrated that the bioactive chemical G-M6 was capable of forming a stable bond with the PPARγ target protein capsule. Using human ovarian cancer cells and xenograft model of ovarian cancer to evaluate the anticancer activity of G-M6. The IC

The first peptide derivatives of dioxybiphenyl-bridged spiro cyclotriphosphazenes: In vitro cytotoxicity activities and DNA damage studies

In this study, we aimed to synthesize new peptide-substituted cyclotriphosphazenes from a series of tyrosine-based peptides and dioxyphenyl-substituted spirocyclotriphosphazenes, and to evaluate their in vitro cytotoxicity and genotoxicity activities. Genotoxicity studies were conducted to understand whether the cytotoxic compounds cause cell death through DNA damage. The structures of the novel series of phosphazenes were characterized by FT-IR, elemental analysis, MS, 1D (

Targeting and imaging of HER2 overexpression tumor with a new peptide-based 68Ga-PET radiotracer

Human epidermal growth factor receptor 2 (HER2) overexpression, as a predictive biomarker, is associated with more tumor aggressiveness and worse clinical outcomes in cancer, whereas it's accurate identification has led to the choice of effective treatments in many patients. In this study, a peptide-based PET probe (

Efficient biogenesis of Cu2O nanoparticles using extract of Camellia sinensis leaf: Evaluation of catalytic, cytotoxicity, antioxidant, and anti-human ovarian cancer properties

At the moment, metallic nanoparticles especially copper nanoparticles are administrated for the cure of different disorders, such as tumor and cancer. In recent years, many chemotherapeutic supplements have been formulated by copper nanoparticles. In the present study, copper nanoparticles were prepared and synthesized in aqueous medium using Camellia sinensis leaf extract. The as-prepared Cu

A NIR fluorescent probe based on tricyanofuran for the detection of β-galactosidase in living ovarian tumor cells and in vivo

β-Galactosidase (β-Gal) as an important glycoside hydrolase plays an important role in the early diagnosis of ovarian cancer. It is important to accurately and conveniently detect β-Gal in organisms. In this study, we developed a fluorescent probe TCF-GAL based on the tricyanofuran structure, which is linked to β-galactose through ether bonds for β-Gal detection. Probe TCF-GAL exhibited satisfactory selectivity and sensitivity toward β-Gal with the calculated LOD of 1.45 × 10

Rheumatoid arthritis drug sinomenine induces apoptosis of cervical tumor cells by targeting thioredoxin reductase in vitro and in vivo

Overexpression of thioredoxin reductase (TrxR) has been linked to tumorigenesis and phenotypic maintenance of malignant tumors. Thus, targeting TrxR with natural molecules is a promising strategy for developing anticancer drugs. Sinomenine is a naturally occurring alkaloid isolated from Sinomenium acutum. The drug, Zhengqing Fengtongning made from sinomenine, has been universally applied in rheumatoid arthritis treatment in China as well as other Asian countries for decades. Recently, increasing evidence indicates that sinomenine appears to be a promising therapeutic agent against various cancer cells. However, the exact mechanism underlying the anticancer activity of sinomenine remains unclear. In this study, we identified sinomenine as a kind of new inhibitor for TrxR. Pharmacological inhibition of TrxR by sinomenine results in the decrease of thiols content, increases the levels of reactive oxygen species, and finally facilitates oxidative stress-mediated cancer cell apoptosis. It is vital that knockdown in TrxR1 by shRNA can increase cell sensitivity to sinomenine. Treatment with sinomenine in vivo leads to a decrease in TrxR activity and tumor growth, and an increase in apoptosis. Our findings provide a novel action mechanism related to sinomenine and presents an insight on how to develop sinomenine as a chemotherapeutic agent for cancer therapy.

Structure-based discovery of a specific SHP2 inhibitor with enhanced blood–brain barrier penetration from PubChem database

The thiophene [2,3-d]pyrimidine structure-like small molecules were discovered from structure-based virtual screening of 1 billion compounds. Base on enzyme activity assay results, a SHP2-specific molecule inhibitor Comp#2 with IC

Boosting bioavailability of PROTACs for ovarian cancer: From chemistry to clinical translation

Ovarian cancer is a significant clinical problem with late diagnosis, high recurrence, and resistance to therapy. Greater reliance on ubiquitin to induce the degradation of oncogenic proteins instead of inhibiting their activity is provided by proteolysis-targeting chimeras (PROTACs). This review outlines the molecular architecture of PROTACs, their use against important ovarian cancer-driven molecular targets, including BRD4, NAMPT, FAK, FER, and TG2, and the benefits over traditional inhibitors, which include enhanced selectivity, longer efficacy, and ability to target undruggable targets. We also talk about the key obstacles to clinical translation, such as off-target effects, unfavorable pharmacokinetics, and tumor microenvironment concerns, and emerging technologies, including nanoparticle delivery and light-responsive or reversible PROTACs. As PROTACs progress from preclinical research to clinical implementation, their incorporation into ovarian cancer treatment presents a new model for precision oncology. This review highlights the therapeutic potential of PROTACs by linking preclinical progress to translational options to expand precision oncology to treat ovarian cancer.

Current developments in PI3K-based anticancer agents: Designing strategies, biological activity, selectivity, structure-activity correlation, and docking insight

New glycoconjugation strategies for Ruthenium(II) arene complexes via phosphane ligands and assessment of their antiproliferative activity

Glycoconjugation is a powerful tool to improve the anticancer activity of metal complexes. Herein, we modified commercial arylphosphanes with carbohydrate-derived fragments for the preparation of novel glycoconjugated ruthenium(II) p-cymene complexes. Specifically, d-galactal and d-allal-derived vinyl epoxides (VEβ and VEα) were coupled with (2-hydroxyphenyl)diphenylphosphane, affording the 2,3-unsaturated glycophosphanes 1β and 1α. Ligand exchange with [Ru(C

SMART-guided discovery of Sarpagine-type monoterpene indole alkaloids from Rauvolfia vomitoria and the synergistic effects with cisplatin against human ovarian cancer cells

HSQC-based small-molecule accurate recognition technology (SMART) has emerged as an efficient approach to discover structural analogs in crude extracts. In this study, fourteen new sarpagine-type alkaloids, named rauvoines A - N (1-14), as well as twelve described derivatives (15-26), were obtained from the stems of Rauvolfia vomitoria guided by HSQC-based SMART. The structures of the new alkaloids (1-14) were elucidated by comprehensive spectroscopic data. Structurally, rauvoines A (1) and B (2) represent the first C

Brunonianines D-F, three new C19-diterpenoid alkaloids from the Delphinium brunonianum, with therapeutic effect on ovarian cancer in vitro and in vivo

The current standard treatment for ovarian cancer consists of surgery to reduce the size of the tumor, followed by treatment with chemotherapeutic drugs, which have major side effects. Therefore, finding a new natural product drug with fewer side effects is a strategy. Delphinium brunonianum (D. brunonianum) is a traditional Tibetan medicine, mainly from southern Tibet, China, whereas the chemical constituents in this plant remain elusive. The major metabolites in the dichloromethane fraction of D. brunonianum were analyzed and purified by HPLC and various column chromatography techniques. Nine diterpenoid alkaloids (1-9) and one amide alkaloid (10) were isolated from D. brunonianum, including three novel C19-type diterpenoid alkaloids (Brunonianines D-F) (1-3). Their structures were elucidated by 1D/2D NMR, HR-ESI-MS and single-crystal X-ray diffraction analyses. All compounds were evaluated for toxicity in four tumor cell lines. Most of the compounds exhibited potent inhibitory effects on Skov-3 cell lines, with IC

Synthesis of novel 4,7-disubstituted quinoline derivatives as autophagy inducing agents via targeting stabilization of ATG5

A series of new 4,7-disubstituted quinoline derivatives was designed, synthesized and evaluated for their antiproliferative activity. The results demonstrated that compounds 10c, 10g, 10i, 10j and 10k displayed potent antiproliferative activity with IC

Hexa-substituted cyclotriphosphazene derivatives containing hetero-ring chalcones: Synthesis, in vitro cytotoxic activity and their DNA damage determination

In this study, hetero ring hexasubstituted cyclotriphosphazes were obtained in two steps and these compounds were investigated in terms of in vitro cytotoxicity and genotoxicity. The structural characterizations of the starting compounds 1-4 were defined by FT-IR, elemental analysis, and NMR (

Isatin-indoloquinoxaline click adducts with a potential to overcome platinum-based drug-resistance in ovarian cancer

Herein, a series of isatin tethered indolo[2,3-b]quinoxaline hybrids was synthesized by considering the pharmacophoric features of known DNA intercalators and topoisomerase II inhibitors. The anti-proliferative properties of the synthesized compounds were evaluated against ovarian cancer cell lines (SKOV-3 and Hey A8). Four of the compounds exhibited promising anti-proliferative activities, with one of them being 10-fold more potent than cisplatin against drug-resistant Hey A8 cells. Further investigations were carried out to determine the DNA intercalating affinities of the most active compounds as potential mechanisms for their anti-proliferative activities. ADMET in silico studies were performed to assess the physicochemical, pharmacokinetics, and toxicity parameters of active compounds. This study, to the best of our knowledge, is the first report on the potential of isatin-indoloquinoxaline hybrids as structural blueprints for the development of new DNA intercalators. Additionally, it explores their potential to circumvent platinum-based resistance in ovarian cancer.

Aldehyde dehydrogenases as drug targets for cancer: SAR and structural biology aspects for inhibitor design

UM-6 remodels the tumor immune microenvironment by blocking PD-L1 N-glycosylation and promoting ERAD-mediated degradation in cervical cancer

Cervical cancer remains a major global health burden. Although PD-1/PD-L1 immune checkpoint blockade has expanded treatment options, durable responses are still limited. One key reason is that tumor cells sustain immunosuppression by maintaining high levels of mature, N-glycosylated PD-L1 on the plasma membrane. This limitation highlights the need for approaches that disrupt PD-L1 maturation and stability rather than merely blocking ligand-receptor binding. UM-6, a melittin-derived fusion peptide, addresses this need by retaining antitumor activity while exhibiting markedly lower hemolysis than native melittin. In tumor models, UM-6 slowed tumor progression, reduced proliferation, and increased apoptosis. In parallel, it reshaped the tumor immune microenvironment by enhancing cytotoxic T-cell activity and mitigating PD-1-associated T-cell exhaustion. Mechanistically, UM-6 impaired PD-L1 N-glycosylation and reduced PD-L1 association with STT3A, which led to endoplasmic-reticulum retention, increased polyubiquitination, and accelerated ERAD/proteasome-mediated degradation, ultimately reducing functional PD-L1 at the cell surface. Together, these results support UM-6 as a peptide-based, mechanistically distinct strategy that targets PD-L1 biogenesis to relieve immunosuppression in cervical cancer.

Yiyi Fuzi Baijiang powder exerts anti-ovarian cancer effects via the JNK/c-Jun signaling pathway and modulation of the tumor inflammatory microenvironment

This study aimed to comprehensively investigate the anti-ovarian cancer (OC) efficacy of Yiyi Fuzi Baijiang Powder (YFBP), identify its key chemical constituents, and elucidate the underlying mechanisms of action. The chemical profile of YFBP was characterized using UHPLC-MS/MS. The potential mechanisms were predicted through integrated network pharmacology and bioinformatics analyses. The anti-tumor effects were validated in SK-OV-3 cells and a xenograft mouse model by performing CCK-8, flow cytometry, and TUNEL assays. The effects on the tumor inflammatory microenvironment and the JNK/c-Jun signaling pathway were assessed by ELISA, Western blotting, and qRT-PCR. UHPLC-MS/MS analysis identified 271 chemical constituents in YFBP. In vivo, YFBP significantly suppressed tumor growth (inhibition rate up to 52.4%) without systemic toxicity. It inhibited cell proliferation, induced apoptosis, and arrested the cell cycle in the S-phase. Mechanistically, YFBP ameliorated the inflammatory tumor microenvironment (TME) by reducing pro-inflammatory cytokine levels (TNF-α, IL-6, IL-1β) and concurrently activated the JNK/c-Jun signaling pathway. Rescue experiments confirmed that the JNK inhibitor SP600125 attenuated the anti-proliferative effects of YFBP. This study demonstrates that YFBP exerts significant anti-OC therapeutic effects by modulating the inflammatory TME and activating the JNK/c-Jun pathway. Our findings provide a pharmacological basis for the traditional use of YFBP and highlight its potential as a promising candidate phytomedicine for OC therapy.

Mitochondrial targeted modification and anticancer mechanism of natural product ergosterol peroxide

Ergosterol peroxide (EP) isolated from the edible medicinal fungus Pleurotus ferulae has a wide range of anti-tumor activity, but poor water solubility and low bioavailability limit further application. In this study, EP was structurally modified using triphenylphosphine (TPP

SKLB-14b, a novel oral microtubule-destabilizing agent based on hydroxamic acid with potent anti-tumor and anti-multidrug resistance activities

A hydroxamic acid based microtubule-destabilizing agent (MDA) SKLB-14b was discovered in this study, which was derived from shortening the linker length of the HDAC6 and microtubule dual-target inhibitor SKLB-23bb. SKLB-14b exhibited low nanomolar IC

Anti-inflammatory activity and cytotoxicity against ovarian cancer cell lines by amide alkaloids and piperic esters isolated from Piper longum fruits: In vitro assessments and molecular docking simulation

Three new amide alkaloids, piperlongumamides D-F (14, 19, and 32); a new piperic ester, piperlongumester A (45); and two new natural compounds, methyl (2E,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoate (46) and trans-piperolein B ester (47), along with 41 known compounds were isolated from the fruits of Piper longum L. Their structures were identified by analyzing spectroscopic data, including mass spectrometry, 1D, and 2D NMR data. The anti-inflammatory and cytotoxic activities of all isolated compounds (1-47) were evaluated. Compounds 3, 6, and 19 inhibited nitric oxide production with IC

Cytotoxicity of phenylpironetin analogs and the metabolic fate of pironetin and phenylpironetin

To improve pironetin's metabolic stability we prepared four analogs by replacing its C12-14 segment with an aryl group. The antiproliferative activity of phenyl analog 4 was reduced two-fold and dihydroxy-4-fluorophenyl analog 5 was slightly more effective against OVCAR5 and A2780 ovarian cancer cell lines compared with the parent compound pironetin (1). The activity of 4-fluorophenyl analog 6 was reduced 3-fold in both cell lines. The activity of 7-O-methyl analog 7 was reduced 36-fold in OVCAR5 cells and 47-fold and A2780 cells, compared with pironetin. Phenylpironetin (4) was rapidly metabolized by mouse and human liver microsomes. We identified 17 human metabolites for phenyl analog 4 and 14 human metabolites for pironetin. Metabolism occurred at the C12-13 moiety, the α,β-unsaturated lactone and the side chains of the molecules (C6-C11 segments). The significant extent of oxidative metabolism suggests that it may not be possible to attain a metabolically stable pironetin analog by structural modifications of the parent compound.

Design and synthesis of Aza-boeravinone derivatives as potential novel topoisomerase I inhibitors

Based on the structural skeleton of natural products boeravinones, two types of 6H-chromeno[3,4-b]quinoline derivatives were designed and synthesized by nitrogen atom substitution strategy. Then, their cytotoxic activities were evaluated against six human tumor cell lines including HepG2 (hepatocellular carcinoma), A2780 (ovarian cancer), Hela (cervical cancer), HCT116 (colorectal cancer), SW1990 (pancreatic cancer), and MCF7 (breast cancer). The results showed that compounds ZML-8 and ZML-14 exhibited robust inhibitory activities against HepG2 cells with IC

Design, synthesis and biological evaluation of antitumor platinum(II) agents conjugated with non-steroidal anti-inflammatory drug species

As one of the key features of tumor, inflammation attracts much attention of many researchers for antitumor study, in which non-steroidal anti-inflammatory drugs (NSAIDs) have been widely investigated in anti-inflammatory treatments in cancers. Herein, we report a series of novel platinum(II) complexes derived from conjugation of several NSAIDs derivatives with two antitumor platinum(II) agents. The antitumor inhibitory effects of the synthesized compounds on a number of cancer cell lines were estimated. By taking the advantage of two bioactive moieties, these compounds exhibited stronger antitumor activity than their parent platinum agents, and some appeared to have capability of overcoming cisplatin resistance. Among them, IA-1 showed the best cytotoxicity and even exhibited stronger antitumor activity than cisplatin. Further research indicated that IA-1 induced significant DNA damage and ROS generation, accompanied by high cellular platinum accumulation, resulting in a much higher apoptosis rate than cisplatin in A2780 cells. Moreover, IA-1 was found to inhibit metastasis and invasion of A2780 cells by suppressing the COX-2/JAK2/STAT3 axis. All these results revealed that introduction of NSAIDs species efficiently sensitized cancer cells to the synthetic compounds, proving that NSAIDs can enhance the activity of the platinum(II) agents via inhibiting inflammation in cancer cells.

A novel 8-nitro quinoline-thiosemicarbazone analogues induces G1/S & G2/M phase cell cycle arrest and apoptosis through ROS mediated mitochondrial pathway

A series of novel 8-nitro quinoline-based thiosemicarbazone analogues were synthesized and characterized by various spectroscopic and single crystal X-ray analyses. The potent antitumor effects of synthesized compounds towards the cancer cells were evaluated by MTT assay. Amongst, the compound 3a exhibited the highest inhibitory activity and the compounds 3f and 3b were also showed significant activity. The molecular mechanistic studies of cell death have demonstrated that the treated potent compound 3a induced G1/S & G2/M phase cell cycle arrest and induced apoptosis via mitochondrial dysfunction and increased the production of cytotoxic ROS levels. The RT-PCR gene expression analysis revealed that the cell death induced by activation of caspase-3 dependent intrinsic apoptotic signaling pathway. Further, the molecular binding affinity of compounds with estrogen receptor alpha was calculated by molecular docking studies. Thus, novel 8-nitro quinoline-thiosemicarbazone analogues provide a unique tool for breast cancer therapeutic tactics.

Novel drimane-type sesquiterpenoids and nucleosides from the Helicoma septoconstrictum suppress the growth of ovarian cancer cells

Four new drimane-type sesquiterpenoids and two new nucleoside derivatives (1-6), were isolated from the fungus Helicoma septoconstrictum. Their structures were determined based on the combination of the analysis of their HR-ESI-MS, NMR, ECD calculations data and acid hydrolysis. All the isolated compounds were detected for their bio-activities against MDA-MB-231, A549/DDP, A2780 and HepG2 cell lines. Helicoside C (4) exhibited superior cytotoxicity against the A2780 cell line with IC

Green synthesis and anti-tumor efficacy via inducing pyroptosis of novel 1H-benzo[e]indole-2(3H)-one spirocyclic derivatives

Pyroptosis induction is anticipated to be a new approach to developing anti-tumor medications. A novel class of spirocyclic compounds was designed by hybridization of 1H-Benzo[e]indole-2(3H)-one with 1,4-dihydroquinoline and synthesized through a new green "one-pot" synthesis method using 10 wt% SDS/H