Integrated System Pharmacology Approaches to Elucidate Multi-Target Mechanism of Solanum surattense against Hepatocellular Carcinoma

Hepatocellular carcinoma (HCC) is one of the most common malignant liver tumors with high mortality. Chronic hepatitis B and C viruses, aflatoxins, and alcohol are among the most common causes of hepatocellular carcinoma. The limited reported data and multiple spectra of pathophysiological mechanisms of HCC make it a challenging task and a serious economic burden in health care management. Solanum surattense (S. surattense) is the herbal plant used in many regions of Asia to treat many disorders including various types of cancer. Previous in vitro studies revealed the medicinal importance of S. surattense against hepatocellular carcinoma. However, the exact molecular mechanism of S. surattense against HCC still remains unclear. In vitro and in silico experiments were performed to find the molecular mechanism of S. surattense against HCC. In this study, the network pharmacology approach was used, through which multi-targeted mechanisms of S. surattense were explored against HCC. Active ingredients and potential targets of S. surattense found in HCC were figured out. Furthermore, the molecular docking technique was employed for the validation of the successful activity of bioactive constituents against potential genes of HCC. The present study investigated the active “constituent–target–pathway” networks and determined the tumor necrosis factor (TNF), epidermal growth factor receptor (EGFR), mammalian target of rapamycin (mTOR), Bcl-2-like protein 1(BCL2L1), estrogen receptor (ER), GTPase HRas, hypoxia-inducible factor 1-alpha (HIF1-α), Harvey Rat sarcoma virus, also known as transforming protein p21 (HRAS), and AKT Serine/Threonine Kinase 1 (AKT1), and found that the genes were influenced by active ingredients of S. surattense. In vitro analysis was also performed to check the anti-cancerous activity of S. surattense on human liver cells. The result showed that S. surattense appeared to act on HCC via modulating different molecular functions, many biological processes, and potential targets implicated in 11 different pathways. Furthermore, molecular docking was employed to validate the successful activity of the active compounds against potential targets. The results showed that quercetin was successfully docked to inhibit the potential targets of HCC. This study indicates that active constituents of S. surattense and their therapeutic targets are responsible for their pharmacological activities and possible molecular mechanisms for treating HCC. Lastly, it is concluded that active compounds of S. surattense act on potential genes along with their influencing pathways to give a network analysis in system pharmacology, which has a vital role in the development and utilization of drugs. The current study lays a framework for further experimental research and widens the clinical usage of S. surattense.     

Crystallographic report: Chlorodimethyltin(IV) piperidine‐1‐carbodithioate

Me₂Sn(S₂CN(CH₂)₅)Cl contains five‐coordinated tin with a bidentate dithiocarbamate ligand spanning equatorial and axial positions in a distorted trigonal bipyramidal geometry. Copyright © 2005 John Wiley & Sons, Ltd.     

Surface modification of platinum by laser-produced X-rays

Laser-induced plasma is used as an X-ray source for the growth of hillocks like nanostructures on platinum surface. To generate X-rays, plasma is produced by Nd:YAG laser, which is operated at second harmonics (λ?=?532?nm, E?=?400?mJ). Analytical grade 5?N pure Al, Cu and W are used as laser targets for X-rays production. X-rays produced from Al, Cu and W plasmas are used to irradiate three analytical grade (5?N pure) platinum substrates, respectively, under the vacuum ～10^?4 torr. XRD analysis shows considerable structural changes in the exposed platinum. The decrement in reflection intensities, increment in dislocation line density, change in d-spacing and disturbance in the periodicity of planes evidently prove these structural changes. Atomic force microscope AFM topographic analysis of the platinum exposed to X-rays emitted from Al, Cu and W targets showed that nanometer-size hillocks are produced on the platinum surface irrespective of the source. It has also been observed that due to these hillocks, the roughness of the surface has increased. Conductivity of hillocks produced from X-rays produced by Al, Cu and W targets is compared and it is shown that the hillocks produced by Al target X-rays have better conductivity compared to the hillocks produced by X-rays from Cu and W targets.     

Copolymerization of Carbonyl Sulfide and Propylene Oxide via a Heterogeneous Prussian Blue Analogue Catalyst with High Productivity and Selectivity

This study demonstrates the superiority of a stable and well-defined heterogeneous cobalt hexacyanocobaltate (Co₃[Co(CN)₆]₂), a typical cobalt Prussian Blue Analogue (CoCo-PBA) that catalyzes the copolymerization of carbonyl sulfide (COS) and propylene oxide (PO) to produce poly(propylene monothiocarbonate)s (PPMTC). The number-average molecular weights of the PPMTC were 66.4 to 139.4 kg/mol, with a polydispersity of 2.0–3.9. The catalyst productivity reached 1040 g polymer/g catalyst (12.0 h). The oxygen-sulfur exchange reaction (O/S ER), which would generate random thiocarbonate and carbonate units, was effectively suppressed, and thus the selectivity of the monothiocarbonate over carbonate linkages was up to >99%. It was shown that no cyclic thiocarbonate byproduct was produced during the heterogeneous catalysis of COS/PO copolymerization using CoCo-PBA as the catalyst. The content of monothiocarbonate and ether units in the copolymer chain could be regulated by tuning the feeding amount of COS.     

Critical Point of the 152Sm, 154Gd,and 156Dy Isotones

Physics of Atomic Nuclei - The even—even rare-earth nuclei in U(5)—SU(3) region at neutron number (N) = 90, have been systematically studied using the Bohr—Mottelson Model (BM),...     

Monomeric and Dimeric Erbium(III) Complexes: Crystal Structure and Photoluminescence Studies

Abstract  

The crystal structure and photoluminescence (PL) studies of the monomeric and dimeric Er(III) complexes with two different chelating ligands (anthracene-9-carboxylic acid, 9-ACA; pentaethylene glycol, EO5; and picric acid, HPic) are reviewed. The Er(III) metal ion was coordinated to the attached ligands in eight- and nine-coordination number. The dimeric [Er₂(9-AC)₆(DMF)₂(H₂O)₂] complex shows the presence of deprotonated 9-AC anions with the negatively charged oxygen atoms bridged two Er(III) ions leads to a great coordinative flexibility via three possibilities of coordination modes, i.e. monodentate, chelation bidentate, chelating–bridging tridentate, where 9-AC = anthracene-9-carboxylate anion. The monomeric [Er(Pic)₂(EO5)](Pic) complex displays the important flexible structure of the acyclic EO5 ligand and the role of Pic anions act as bidentate and monodentate chelations. The PL spectra of both Er(III) complexes show a broad band with the center peak position being dependent on the attached aromatic ligands. The heavier lanthanide complexes show the difference in structures, coordination geometry environment, and luminescence properties compared to the lighter lanthanide complexes. The energy transfer process in the complexes could be optimized with maximize the overlap between the emission spectrum of donor atom and absorption spectrum of acceptor atom.     

Magnetoacoustic waves with effect of arbitrary degree of temperature and spin degeneracy in electron-positron-ion plasmas

The linear properties of magnetosonic waves are studied in nearly degenerate and nearly non-degenerate quantum plasmas composed of electrons, positrons and ions in the presence of spin- effect. Using the fluid equations, a generalized dispersion relation for perpendicular and oblique propagation is derived. It is found that degree of temperature and spin degeneracy modify the dispersive properties of the given modes. The results of analysis are beneficial for understanding the collective phenomena in dense quantum astrophysical plasmas.     

188Rhenium-EDTMP: A potential therapeutic bone agent

Bone seeking radiopharmaceuticals such as ethylenediaminetetramethylene phosphonate (EDTMP) complexes of ¹⁵³Sm and ¹⁶⁶Ho are receiving considerable attention for therapeutic treatment of bone metastases. Rhenium-188 has both beta-particle emissions for a therapeutic effect and gamma-emissions for imaging and it is available from an in-house generator system similar to the current ^99mTc generator, which makes it convenient for clinical use. The preparation of ¹⁸⁸Re-EDTMP is described using ¹⁸⁸Re, which was obtained from the alumina-based ¹⁸⁸W/¹⁸⁸Re generator. Dependence of the radiolabeling yield of ¹⁸⁸Re-EDTMP on reducing agent concentration, EDTMP concentration, incubation time, pH and addition of carrier was examined. In the case of optimum conditions, the radiolabeling yields of ¹⁸⁸Re-EDTMP were ~98% for carrier-free as well as carrier-added ¹⁸⁸Re. The addition of ascorbic acid plays an important role in the stability of carrier-free as well as carrier-added ¹⁸⁸Re-EDTMP preparations. The biodistribution of carrier-free and carrier-added ¹⁸⁸Re-EDTMP compounds in rats was also studied. The results show that ¹⁸⁸Re (carrier-added)-EDTMP is a potential bone pain palliation radiopharmaceutical due to its high skeletal uptake, rapid blood clearance and relatively low soft tissue absorption.     

A comparison of the solid-state structures of a series of phenylseleno-halogen and pseudohalogen compounds,PhSeX (X = Cl,CN, SCN)

Structural and spectroscopic data on the series of compounds “PhSeX”, where X = Cl, CN or SCN, are reported and compared with previously reported data on “PhSeX” systems (X = Br and I). The chloro-compound displays a “square” motif, Ph₄Se₄Cl₄, in the solid state, linked by long Se–Se bonds [2.993(3)–3.035(3) Å], and forms a loosely held network of Se₄ and Cl₄ squares in its extended structure. In contrast, the pseudohalogen derivatives, PhSeCN and PhSeSCN, consist of essentially monomeric units, which form chains held together by weak Se?N interactions in the solid state. These Se?N interactions are much shorter in PhSeCN, 3.023(3)–3.065(4) Å, than in PhSeSCN, 3.348(4) Å. Weaker Se?N contacts are also present between the chains. The structure of PhSeSCN described here is the first reported crystallographic study of a selenium thiocyanate compound. Spectroscopic studies suggest that all three compounds exist as monomers in solution. The results reported herein illustrate the subtle differences in the solid-state structures of PhSeX compounds.     

Highly active sites of NiVB nanoparticles dispersed onto graphene nanosheets towards efficient and pH-universal overall water splitting

Production of hydrogen (H2) and oxygen (O2) through electrocatalytic water splitting is one of the sustainable,green and pivotal ways to accomplish the ever-inc...