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51.
Syed Shams ul Hassan Syed Qamar Abbas Fawad Ali Muhammad Ishaq Iqra Bano Mubashir Hassan Hui-Zi Jin Simona G. Bungau 《Molecules (Basel, Switzerland)》2022,27(3)
Compounds derived from plants have several anticancer properties. In the current study, one guaiane-type sesquiterpene dimer, vieloplain F, isolated from Xylopia vielana species, was tested against B-Raf kinase protein (PDB: 3OG7), a potent target for melanoma. A comprehensive in silico analysis was conducted in this research to understand the pharmacological properties of a compound encompassing absorption, distribution, metabolism, excretion, and toxicity (ADMET), bioactivity score predictions, and molecular docking. During ADMET estimations, the FDA-approved medicine vemurafenib was hepatotoxic, cytochrome-inhibiting, and non-cardiotoxic compared to the vieloplain F. The bioactivity scores of vieloplain F were active for nuclear receptor ligand and enzyme inhibitor. During molecular docking experiments, the compound vieloplain F has displayed a higher binding potential with −11.8 kcal/mol energy than control vemurafenib −10.2 kcal/mol. It was shown that intermolecular interaction with the B-Raf complex and the enzyme’s active gorge through hydrogen bonding and hydrophobic contacts was very accurate for the compound vieloplain F, which was then examined for MD simulations. In addition, simulations using MM-GBSA showed that vieloplain F had the greatest propensity to bind to active site residues. The vieloplain F has predominantly represented a more robust profile compared to control vemurafenib, and these results opened the road for vieloplain F for its utilization as a plausible anti-melanoma agent and anticancer drug in the next era. 相似文献
52.
Shehar Bano Mahd Rauf Abdul Ghaffar Farhat Yasmeen Waheed-Uz- Zaman 《Natural product research》2020,34(9):1311-1314
AbstractVolatile oil composition of leaves and fruits of Terminalia arjuna (Roxb.) was reported for the first time. Oils were extracted by microwave assisted hydrodistillation where yield of both oils were found to be 0.20% and their GC-MS analyses led to the identification of 65 and 48 constituents, respectively. Major constituents of leaves were carvacrol (11.17%), thymol (6.52%), α-terpinyl acetate (5.92%) and anethole (5.13%) while that of fruits were (E)-isoeugenol (11.48%), furfural (8.25%), p-vinylguaiacol (6.8%) and p-ethylguaiacol (5.72%) that demonstrated a significant difference between composition of its aerial parts, however, 33 constituents were identical that showed similarity characteristics in quality of these oils. Both leaf and fruit oils were found active against pathogenic and drug-resistant microbes: E. coli, Methicillin-resistant S. aureus, P. aeruginosa, Total-drug-resistant P. aeruginosa and K. pneumoniae with MIC values of 0.32, 0.32, 0.64, 0.64, 2.56?mg/mL and 0.16, 0.16, 0.32, 0.64, 1.28?mg/mL, respectively. 相似文献
53.
54.
N. Bano I. Hussain O. Nur M. Willander H. S. Kwack D. Le Si?Dang 《Applied Physics A: Materials Science & Processing》2010,100(2):467-472
High quality vertically aligned ZnO nanorods (NRs) were grown by low-temperature aqueous chemical technique on 4H-n-SiC substrates.
Schottky light-emitting diodes (LEDs) were fabricated. The current-voltage (I–V) characteristics of Schottky diodes reveal
good rectifying behavior. Optical properties of the ZnO nanorods (NRs) were probed by cathodoluminescence (CL) measurements
at room temperature complemented with electroluminescence (EL). The room-temperature CL spectra of the ZnO NRs exhibit near
band edge (NBE) emission as well as strong deep level emission (DLE) centered at 690 nm. At room temperature the CL spectra
intensity of the DLE was enhanced with the increase of the electron beam penetration depth due to the increase of defect concentration
at the interface and due to the conversion of self-absorbed UV emission. We observed a variation in the DLE along the nanorod
depth. This indicates a relatively lower structural quality near the interface between ZnO NRs and n-SiC substrate. The room-temperature
CL spectra of SiC show very weak emission, which confirms that most of the DLE is originating from the ZnO NRs, and SiC has
a minute contribution to the emission. 相似文献
55.
Girgis Obaid Wendong Jin Shazia Bano David Kessel Tayyaba Hasan 《Photochemistry and photobiology》2019,95(1):364-377
With the rapidly emerging designs and applications of light‐activated, photodynamic therapy (PDT)‐based nanoconstructs, photonanomedicines (PNMs), an unmet need exists to establish whether conventional methods of photochemical and photophysical characterization of photosensitizers are relevant for evaluating new PNMs in order to intelligently guide their design. As a model system, we build on the clinical formulation of benzoporphyrin derivative (BPD), Visudyne®, by developing a panel of nanolipid formulations entrapping new lipidated chemical variants of BPD with differing chemical, photochemical and photophysical properties. These are 16:0 and 20:0 lysophosphocholine‐BPD (16:0/20:0 BPD‐PC), DSPE‐PEG‐BPD and BPD‐cholesterol. We show that Visudyne® was the most phototoxic formulation to OVCAR‐5 cells, and the least effective was liposomal DSPE‐PEG‐BPD. However, these differences did not match their optical, photophysical and photochemical properties, as the static BPD quenching was highest in Visudyne, which also exhibited the lowest generation of singlet oxygen. Furthermore, we establish that OVCAR‐5 cell phototoxicity also does not correlate with rates of photosensitizer photobleaching and fluorescence quantum yields in any nanolipid formulations. These findings warrant critical future studies into subcellular targets and molecular mechanisms of phototoxicity of photodynamic nanoconstructs, as more reliable prognostic surrogates for predicting efficacy to appropriately and intelligently guide their design. 相似文献
56.
Musa Kaleem Baloch Gulzar Hameed Shahid Iqbal Arjamand Bano Wajid Rehman 《Journal of Dispersion Science and Technology》2013,34(4):498-506
Emulsions stand among the most important multiphase fluids, exhibiting various complicated phenomenon. To understand the process of emulsification, the Taylor equation has been extended to incorporate the parameters that depend on molecular mass of oil and their contents and the amount of surfactant added. To test the validity of the proposed equations, four well-defined short chain (n-hexane, n-heptane, n-decane, and kerosene) oils were emulsified in water and the results were compared with the experimental ones. It has been concluded that the extended Taylor equation worked well, even in the presence of surfactant. The quality of the emulsion defined and discussed in terms of size and number of droplets was best near CMC of the surfactant used. A relationship has also been derived between CMC of surfactant and its distribution coefficient, which allows the exact value of one parameter to be determined if other is known. 相似文献
57.
Shaista Bano Ayaz Mohd Aftab Aslam Parwaz Khan K. S. Siddiqi 《Journal of Analytical Chemistry》2011,66(7):603-609
Simple, accurate, rapid, and sensitive spectrofluorimetric methods for the determination of levosulpiride in pharmaceutical
formulation were developed utilizing its fluorescence reaction with Fe3+ (method A) and Al3+ (method B). The calibration curves were found to be linear in the concentration range 0.239–3.44 μg/mL and 0.310–2.730 μg/mL with limit
of detection 0.005 μg/mL and 0.0032 μg/mL, respectively, for method A and method B. The reaction conditions were studied and optimized. In addition, the complexation of Mg2+ and Ca2+ was also studied. In all cases, an enhancement in fluorescence emission of levosulpiride upon formation of complex with metal
ions was observed. A 2: 1 (drug: metal) stoichiometry for all the complexes was established. Benesi-Hildebrand method was
applied for calculation of association constant at 25 and 35°C. The thermodynamic parameters obtained in this study revealed
that the interaction process was spontaneous and mainly ΔS-driven. 相似文献
58.
Laurence Latu-Romain Maelig Ollivier Arnaud Mantoux Geoffroy Auvert Odette Chaix-Pluchery Eirini Sarigiannidou Edwige Bano Bernard Pelissier Charbel Roukoss Herv�� Roussel Florian Dhalluin Bassem Salem Nikoletta Jegenyes Gabriel Ferro Didier Chaussende Thierry Baron 《Journal of nanoparticle research》2011,13(10):5425-5433
Si nanowires (NWs), with diameters of about 800 nm and lengths of about 10 ??m, previously synthesized by the VLS method with gold catalyst, were carburized at 1,100 °C under methane for conversion into SiC nanostructures. These experiments have shown that Si NWs have been transformed into SiC nanotubes (NTs) with approximately the same sizes. Nanotubes?? sidewall thickness varies from 20 to 150 nm depending on the NTs?? height. These SiC nanotubes are hexagonal in shape and polycrystalline. A model of growth based on the out-diffusion of Si through the SiC layer was proposed to explain the transformation from Si nanowires to SiC nanotubes. This model was completed with thermodynamic calculations on the Si?CH2?CCH4?CO2 system and with results from complementary experiment using propane precursor. Routes for obtaining crystalline SiC NTs using this reaction are proposed. 相似文献
59.
Based on presently available experimental advancements, we present a theoretical technique to generate single-mode electromagnetic-field
entangled NOON states between two resonators. A two-level atom interacts dispersively with a standing wave field, which results
in Bragg diffraction and thus a superposition of atomic external degrees of freedom. Later, a resonant interaction of the
atom with two different resonators in the presence of a Ramsey field and a Stark field entangles the two resonators in their
NOON state. We further discuss the experimental parameters necessary to realize the scheme in the laboratory and calculate
the corresponding success probability. 相似文献
60.
Castronovo M Bano F Raugei S Scaini D Dell'Angela M Hudej R Casalis L Scoles G 《Journal of the American Chemical Society》2007,129(9):2636-2641
The penetration resistance of a prototypical model-membrane system (HS-(CH2)11-OH self-assembled monolayer (SAM) on Au(111)) to the tip of an atomic force microscope (AFM) is investigated in the presence of different solvents. The compressibility (i.e., height vs tip load) of the HS-(CH2)11-OH SAM is studied differentially, with respect to a reference structure. The reference consists of hydrophobic alkylthiol molecules (HS-(CH2)17-CH3) embedded as nanosized patches into the hydrophilic SAM by nanografting, an AFM-assisted nanolithography technique. We find that the penetration resistance of the hydrophilic SAM depends on the nature of the solvent and is much higher in the presence of water than in 2-butanol. In contrast, no solvent-dependent effect is observed in the case of hydrophobic SAMs. We argue that the mechanical resistance of the hydroxyl-terminated SAM is a consequence of the structural order of the solvent-SAM interface, as suggested by our molecular dynamics simulations. The simulations show that in the presence of 2-butanol the polar head groups of the HS-(CH2)11-OH SAM, which bind only weakly to the solvent molecules, try to bind to each other, disrupting the local order at the interface. On the contrary, in the presence of water the polar head groups bind preferentially to the solvent that, in turn, mediates the release of the surface strain, leading to a more ordered interface. We suggest that the mechanical stabilization effect induced by water may be responsible for the stability of even more complex, real membrane systems. 相似文献