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Introduction: Inflammation is a fundamental response of the immune system during tissue damage or pathogen infection to protect and maintain tissue homeostasis. However, inflammation may lead to life-threatening conditions. The most common treatment of inflammation is non-steroidal anti-inflammatory drugs (NSAIDs). Nowadays, the development of safer new NSAIDs is critical as most of the existing NSAIDs have serious adverse effects, such as gastrointestinal (GI) toxicity and cardiotoxicity. In the present study, four compounds as Schiff base derivatives of 7-hydroxy-4-formyl coumarin and 7-methoxy-4-formyl coumarin were designed and synthesized aiming to develop a lead compound that exhibits anti-inflammatory activity and circumvents the side effects of NSAIDs, especially GI toxicity. Materials and Methods: Lipinski's rule of five was applied for each designed molecule to evaluate the drug-likeness properties. Molecular docking studies were performed using the ligands and the cyclooxygenase-2 (COX-2) protein to select the best-scored molecule using AutoDock 4.2.6. The molecules were then synthesized and characterized. An in vitro anti-inflammatory assay of the compounds against the COX-2 receptor was realized through a protein denaturation assay. Results and Discussion: All four synthesized ligands passed Lipinski's rule of five and exhibited higher binding free energy compared to the positive standard control (ibuprofen), and the Ki values of compounds 5, 7, and 8 were in the nanomolar range. However, only compounds 6 and 7 obtained a higher percentage of inhibition of protein denaturation relative to ibuprofen. Conclusion: The present study suggested that compound 7 may be a lead molecule because this ligand not only exhibited the best computational and experimental results but also exhibited the strongest correlation between the concentration and percentage of protein denaturation (R = 0.986 and [R.sup.2] = 0.972) with the lowest P-value (0.014). Keywords: coumarin, non-steroidal anti-inflammatory drugs, ibuprofen, lead compound, cyclooxygenase, binding free energy, Schiff base derivatives

Hypertension is a major global health challenge and a key risk factor for cardiovascular, renal, and cerebrovascular disorders. Despite the availability of several synthetic antihypertensive drugs, their prolonged use often leads to adverse side effects, underscoring the need for safer alternatives. Natural compounds represent a promising source of bioactive molecules with potential therapeutic efficacy. Given the multifactorial nature of hypertension, multi-target therapeutic strategies may offer improved disease management. This study employed an integrative computational approach combining network pharmacology and structure-based analyses to identify potential protein targets and natural compounds relevant to hypertension. A total of 22 protein targets associated with hypertension-related pathways were identified. Virtual screening and pharmacokinetic (ADME) evaluations revealed 16 phytochemicals with strong binding affinities, among which 10 exhibited favorable drug-likeness and multi-target interaction profiles. Overall, the findings highlight several natural compounds as promising antihypertensive candidates with polypharmacological potential and a lower likelihood of adverse effects compared to conventional drugs. Experimental validation of the identified targets and lead compounds is warranted to confirm their therapeutic efficacy.

There is an urgent need for novel strategies to fight drug resistance and multi-drug resistance. As an alternative to the classic antibiotic therapy, attenuation of the bacteria virulence affecting their Quorum sensing (QS) system is a promising approach. Quorum sensing (QS) is a genetic regulation system that allows bacteria to communicate with each other and coordinate group behaviors. A new γ-lactone that is capable of inhibiting the LasI/R QS system, plakofuranolactone (1), was discovered in the extract of the marine sponge Plakortis cf. lita, and its structure, including absolute configuration, was determined by NMR spectroscopy, MS spectrometry, and quantum-mechanical prediction of optical rotation. The quorum quenching activity of plakofuranolactone was evaluated using reporter gene assays for long- and short-chain signals (E. coli pSB1075, E. coli pSB401, and C. violeaceum CV026) and was confirmed by measuring the total protease activity (a virulence factor which is under control of the LasI/R system) of the wild-type P. aeruginosa PAO1. Further research will be pursued to assess the potential of plakofuranolactone as a new antivirulence lead compound and a chemical tool to increase the knowledge in this field.

Global efforts to develop innovative anti-cancer lead compounds from natural compounds found in plants have gained advanced momentum, focusing on achieving Sustainable Development Goal (SDG) number 3 on good health and well-being. This investigation identifies ellagic acid and salvianolic acid B as promising natural inhibitors of mTOR, DNA lyase, and topoisomerase II alpha, critical cancer-related enzymes. Salvianolic acid showed stable and stronger binding on its targets with potent growth inhibition across breast (IC 50 : 14–20 µM) and prostate (IC 50 : 12–18 µM) cancer cell lines. Also, salvianolic acid displayed consistent root mean square deviation (RMSD) values over 200 ns simulation time. Phorbol esters showed inactivity on cancer cell lines, while ellagic acid showed moderate efficacy and thermodynamic stability. Polyphenols like salvianolic acid have strong target engagement but suffer from poor bioavailability and predicted permeability. This underscores the need for chemical formulation strategies. The toxicity profiles of the studied bioactive compounds were non-hepatotoxic, non-mutagenic, and safe at the cellular level. Compared to the clinically approved drugs (doxorubicin/docetaxel), salvianolic acid B approached benchmark potency, supporting its promising potential as an anticancer agent. Notably, the in silico and in vitro studies validate previous evidence of polyphenols in cancer therapy and introduce salvianolic acid B as a promising lead for poly-targeted anti-cancer drug development. Eventually, for accurate clinical trials, animal experiments and in vivo studies are necessary to confirm the potential preventive and therapeutic effects of these bioactive compounds.

Friisite, ideally Pb.sub.8 Al.sub.3 Si.sub.8 O.sub.27 Cl.sub.3, is a new mineral discovered in a museum sample from the Långban mine in Värmland, Sweden. It occurs as subhedral, flaky grains up to 150 µm in size, forming aggregates within a medium-grained skarn matrix and contiguous to jagoite. Both are associated with melanotekite, aegirine-augite, albite, baryte, fluorapophyllite-K, margarosanite, alamosite, native lead, a serpentine group mineral, and a wickenburgite-like mineral. Friisite is white to colorless with a white streak and sub-adamantine luster. The mineral is transparent and does not fluoresce under UV light. It is brittle, with an uneven fracture and perfect cleavage on 001. Mohs hardness is 4-5 (by analogy with jagoite). The calculated density is 5.54(1) g cm.sup.-3 . Optically, friisite is non-pleochroic and uniaxial (-). Point analyses by means of an electron microprobe using wavelength-dispersive spectroscopy resulted in an empirical formula (based on 30 O+Cl): (Pb7.89Na0.11Ca0.08)â=8.08(Al2.19Si0.31Fe0.203+Zn0.13Mn0.112+)â=2.94Si8O27.02Cl2.98. Friisite is hexagonal, P6-2c (#190), with unit-cell parameters a=8.5955(1) Ã, c=23.4092(2) Ã, and V=1497.82(4) Ã.sup.3 for Z=2. The eight strongest powder X-ray diffraction lines are [d, à (I.sub.rel) (hkl)]: 5.848 (31) (004), 5.375 (20) (103), 4.040 (96) (11-2, 112), 3.680 (40) (201), 3.463 (100) (114), 2.886 (21) (116), 2.795 (20) (21-1), and 2.4828 (35) (300). Friiste is a phyllosilicate and forms a polysomatic series with jagoite characterized by a layer sequence of SiO.sub.4 tetrahedra (T) and metal octahedra (O) between double layers (*) corresponding to *TOT*, whereas jagoite is described as *TOTOT*. Friisite forms from transformation of melanotekite or barysilite in the presence of albite and a Cl-enriched fluid at relatively high aSiO2. The mineral (IMA2024-047) is named in honor of Danish mineralogist Henrik Friis (b. 1977), professor at the Natural History Museum, University of Oslo, Norway.

Anthraquinone drugs are widely used in the treatment of tumors. However, multidrug resistance and severe cardiac toxicity limit its use, which have led to the discovery of new analogues. In this paper, 4-Deoxy- -pyrromycinone (4-Deo), belonging to anthraquinone compounds, was first been studied with the anti-tumor effects and the safety in vitro and in vivo as a new anti-tumor drug or lead compound. The quantitative analysis of 4-Deo was established by UV methodology. The anti-cancer effect of 4-Deo in vitro was evaluated by cytotoxicity experiments of H22, HepG2 and Caco2, and the anti-cancer mechanism was explored by cell apoptosis and cycle. The tumor-bearing mouse model was established by subcutaneous inoculation of H22 cells to evaluate the anti-tumor effect of 4-Deo in vivo. The safety of 4-Deo was verified by the in vitro safety experiments of healthy cells and the in vivo safety experiments of H22 tumor-bearing mice. Tumor tissue sections were labeled with CRT, HMGB1, IL-6 and CD115 to explore the preliminary anti-cancer mechanism by immunohistochemistry. In vitro experiments demonstrated that 4-Deo could inhibit the growth of H22 by inducing cell necrosis and blocking cells in S phase, and 4-Deo has less damage to healthy cells. In vivo experiments showed that 4-Deo increased the positive area of CRT and HMGB1, which may inhibit tumor growth by triggering immunogenic cell death (ICD). In addition, 4-Deo reduced the positive area of CSF1R, and the anti-tumor effect may be achieved by blocking the transformation of tumor-associated macrophages (TAMs) to M2 phenotype. In summary, this paper demonstrated the promise of 4-Deo for cancer treatment in vitro and in vivo. This paper lays the foundation for the study of 4-Deo, which is beneficial for the further development anti-tumor drugs based on the lead compound of 4-Deo.

All-perovskite tandem solar cells promise higher power-conversion efficiency (PCE) than single-junction perovskite solar cells (PSCs) while maintaining a low fabrication cost 1 – 3 . However, their performance is still largely constrained by the subpar performance of mixed lead–tin (Pb–Sn) narrow-bandgap (NBG) perovskite subcells, mainly because of a high trap density on the perovskite film surface 4 – 6 . Although heterojunctions with intermixed 2D/3D perovskites could reduce surface recombination, this common strategy induces transport losses and thereby limits device fill factors (FFs) 7 – 9 . Here we develop an immiscible 3D/3D bilayer perovskite heterojunction (PHJ) with type II band structure at the Pb–Sn perovskite–electron-transport layer (ETL) interface to suppress the interfacial non-radiative recombination and facilitate charge extraction. The bilayer PHJ is formed by depositing a layer of lead-halide wide-bandgap (WBG) perovskite on top of the mixed Pb–Sn NBG perovskite through a hybrid evaporation–solution-processing method. This heterostructure allows us to increase the PCE of Pb–Sn PSCs having a 1.2-µm-thick absorber to 23.8%, together with a high open-circuit voltage ( V oc ) of 0.873 V and a high FF of 82.6%. We thereby demonstrate a record-high PCE of 28.5% (certified 28.0%) in all-perovskite tandem solar cells. The encapsulated tandem devices retain more than 90% of their initial performance after 600 h of continuous operation under simulated one-sun illumination. All-perovskite tandem solar cells with an immiscible 3D/3D bilayer heterojunction demonstrate a record-high PCE of 28%, as well as the ability to retain more than 90% of their initial performance after 600 h of continuous operation.

Achieving both high efficiency and long-term stability is the key to the commercialization of perovskite solar cells (PSCs) 1 , 2 . However, the diversity of perovskite (ABX 3 ) compositions and phases makes it challenging to fabricate high-quality films 3 – 5 . Perovskite formation relies on the reaction between AX and BX 2 , whereas most conventional methods for film-growth regulation are based solely on the interaction with the BX 2 component. Herein, we demonstrate an alternative approach to modulate reaction kinetics by anion–π interaction between AX and hexafluorobenzene (HFB). Notably, these two approaches are independent but work together to establish ‘dual-site regulation’, which achieves a delicate control over the reaction between AX and BX 2 without unwanted intermediates. The resultant formamidinium lead halides (FAPbI 3 ) films exhibit fewer defects, redshifted absorption and high phase purity without detectable nanoscale δ phase. Consequently, we achieved PSCs with power conversion efficiency (PCE) up to 26.07% for a 0.08-cm 2 device (25.8% certified) and 24.63% for a 1-cm 2 device. The device also kept 94% of its initial PCE after maximum power point (MPP) tracking for 1,258 h under full-spectrum AM 1.5 G sunlight at 50 ± 5 °C. This method expands the range of chemical interactions that occur in perovskite precursors by exploring anion–π interactions and highlights the importance of the AX component as a new and effective working site to improved photovoltaic devices with high quality and phase purity. The use of anion–π interactions during perovskite film formation is shown to give better quality perovskite layers with high phase purity, leading to improved photovoltaic devices with high power conversion efficiency.

The organisms thriving under extreme conditions better than any other organism living on Earth, fascinate by their hostile growing parameters, physiological features, and their production of valuable bioactive metabolites. This is the case of microorganisms (bacteria, archaea, and fungi) that grow optimally at high salinities and are able to produce biomolecules of pharmaceutical interest for therapeutic applications. As along as the microbiota is being approached by massive sequencing, novel insights are revealing the environmental conditions on which the compounds are produced in the microbial community without more stress than sharing the same substratum with their peers, the salt. In this review are reported the molecules described and produced by halophilic microorganisms with a spectrum of action in vitro: antimicrobial and anticancer. The action mechanisms of these molecules, the urgent need to introduce alternative lead compounds and the current aspects on the exploitation and its limitations are discussed.

Semiconducting lead halide perovskites (LHPs) have not only become prominent thin-film absorber materials in photovoltaics but have also proven to be disruptive in the field of colloidal semiconductor nanocrystals (NCs). The most important feature of LHP NCs is their so-called defect-tolerance—the apparently benign nature of structural defects, highly abundant in these compounds, with respect to optical and electronic properties. Here, we review the important differences that exist in the chemistry and physics of LHP NCs as compared with more conventional, tetrahedrally bonded, elemental, and binary semiconductor NCs (such as silicon, germanium, cadmium selenide, gallium arsenide, and indium phosphide). We survey the prospects of LHP NCs for optoelectronic applications such as in television displays, light-emitting devices, and solar cells, emphasizing the practical hurdles that remain to be overcome.