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461.
Prangya Rath Anuj Ranjan Arabinda Ghosh Abhishek Chauhan Manisha Gurnani Hardeep Singh Tuli Hamza Habeeballah Mustfa F. Alkhanani Shafiul Haque Kuldeep Dhama Naval Kumar Verma Tanu Jindal 《Molecules (Basel, Switzerland)》2022,27(7)
The increase in the number of cases of type 2 diabetes mellitus (T2DM) and the complications associated with the side effects of chemical/synthetic drugs have raised concerns about the safety of the drugs. Hence, there is an urgent need to explore and identify natural bioactive compounds as alternative drugs. Protein tyrosine phosphatase 1B (PTP1B) functions as a negative regulator and is therefore considered as one of the key protein targets modulating insulin signaling and insulin resistance. This article deals with the screening of a database of polyphenols against PTP1B activity for the identification of a potential inhibitor. The research plan had two clear objectives. Under first objective, we conducted a quantitative structure–activity relationship analysis of flavonoids with PTP1B that revealed the strongest correlation (R2 = 93.25%) between the number of aromatic bonds (naro) and inhibitory concentrations (IC50) of PTP1B. The second objective emphasized the binding potential of the selected polyphenols against the activity of PTP1B using molecular docking, molecular dynamic (MD) simulation and free energy estimation. Among all the polyphenols, silydianin, a flavonolignan, was identified as a lead compound that possesses drug-likeness properties, has a higher negative binding energy of −7.235 kcal/mol and a pKd value of 5.2. The free energy-based binding affinity (ΔG) was estimated to be −7.02 kcal/mol. MD simulation revealed the stability of interacting residues (Gly183, Arg221, Thr263 and Asp265). The results demonstrated that the identified polyphenol, silydianin, could act as a promising natural PTP1B inhibitor that can modulate the insulin resistance. 相似文献
462.
Formation of molecular complexes betweenDDT as acceptor and indole, 2-methylindole, 3-methylindole, benzene and naphthalene as donors have been studied in carbon tetrachloride using refractometric and differential refractometric measurements. Titration techniques through these measurements have indicated11 stoichiometry of these complexes. Equilibrium constants (K
1) and extent of electronic polarization were calculated. Two types of complexes were observed, one association involving primarily the benzhydryltrichloromethyl grouping ofDDT with a polar complexing agents, and the other interaction of theDDT aromatic -electron system with -electrons of donors in the complexing molecule. These data support the charge-transfer complex formation hypothesis for the mode of action ofDDT on molecular level.
Refraktometrische Untersuchungen an Molekülkomplexen von DDT mit einigen biologisch relevanten Verbindungen
Zusammenfassung Es wurde die Bildung von Molekülkomplexen zwischenDDT als Acceptor und Indol, 2-Methyl-indol, 3-Methyl-indol, Benzol und Naphthalin als Donor in CCl4 mittels Refraktometrie und differenzieller Refraktometrie untersucht. Es wurde11-Stöchiometrie der Komplexe festgestellt, Gleichgewichtskonstanten und das Ausmaß der Elektronenpolarisation wurden berechnet. Zwei Typen von Komplexen wurden beobachtet; in einem Fall erfolgt die Assoziation primär über die Benzhydryltrichlormethyl-Gruppierung desDDT, im anderen Fall über -Elektronenwechselwirkungen. Die Daten unterstützen ein chargetransfer-Modell der Komplexbildung vonDDT mit geeigneten Donormolekülen.相似文献
463.
Chauhan AK Singh P Srivastava RC Duthie A Voda A 《Dalton transactions (Cambridge, England : 2003)》2008,(30):4023-4028
Electrophilic substitution of acylmethanes (methyl ketones), RCOCH3 (R = i-Pr, 1; Et, 2; Me, 3) with aryltellurium trichlorides, ArTeCl3 (Ar = 1-C10H7, Np, A; 2,4,6-Me3C6H2, Mes, B; 4-MeOC6H4, Anisyl, C) under mild conditions affords the corresponding acylmethyl(aryl)tellurium dichlorides (RCOCH2)ArTeCl2. Reduction of the dichlorides, gives tellurides, (i-PrCOCH2)ArTe, 1A-1C, which give the corresponding dihalides, (i-PrCOCH2)ArTeX2 (X = Cl, 1Aa-1Ca; Br, 1Ab-1Cb; I, 1Ac-1Cc) when reacted in situ with SO2Cl2, Br2 or I2. The unsymmetric tellurides are labile towards disproportionation and attempts to obtain them lead to the isolation of Ar2Te2 except in the case of (i-PrCOCH2)MesTe (1B), which represents an interesting example of a kinetically stable aryl(alkyl)telluride. All the dihalomesityltellurium(IV) derivatives show separate 1H and 13C NMR signals for the ortho methyls irrespective of the sizes of R and X ligands. The telluride, 1B with free rotation about Te-C(mesityl) bond shows, like the unsymmetric diorganotellurium(IV) dihalides, only one 125Te NMR signal. The 1,4-chelating behavior of the acyl ligand among diorganotellurium(IV) compounds is inferred from the X-ray diffraction data for 1Aa, 1Ac, 1Ba, 1Bb, 1cA and 1Cc which are indicative of the presence of intramolecular Te...O secondary bonding interactions (SBIs) at least in the solid state. As a consequence, steric repulsion in case of the mesityltellurium(IV) derivatives, 1Ba and 1Bb, reaches the threshold so as to cause loss of two-fold rotational symmetry of the mesityl group about the Te-C(mesityl) bond axis. Intermolecular C-HO...O H-bonding interactions appears to stabilize such an orientation of the aryl ligand at least in the solid state. 相似文献
464.
Anuj Chauhan Charles Maldarelli David S. Rumschitzki Prof. Dr. Demetrios T. Papageorgiou 《Rheologica Acta》1996,35(6):567-583
This paper examines the linear hydrodynamic stability of an inviscid compound jet. We perform the temporal and the spatial analyses in a unified framework in terms of transforms. The two analyses agree in the limit of large jet velocity. The dispersion equation is explicit in the growth rate, affording an analytical solution. In the temporal analysis, there are two growing modes, stretching and squeezing. Thin film asymptotic expressions provide insight into the instability mechanism. The spatial analysis shows that the compound jet is absolutely unstable for small jet velocities and admits a convectively growing instability for larger velocities. We study the effect of the system parameters on the temporal growth rate and that of the jet velocity on the spatial growth rate. Predictions of both the temporal and the spatial theories compare well with experiment.Dedicated to the memory of Professor Tasos C. Papanastasiou 相似文献
465.
Arsenic is a natural and highly toxic environmental contaminant and is intensely connected with human health. It can cause DNA damage, mutations, neurological disorders, and cancer. In previous few decades, large numbers of biosensors for recognition and identification of arsenic both qualitatively and quantitatively have been developed. The biosensor is a logical device that is usually used for identification of a particular or a group of analytes in samples. This review aims at various advancements made in the improvement of biosensors for arsenic detection such as whole cell-based, nucleotide-based, and enzyme inhibition-based biosensors. The review focuses on the technology used for development of arsenic biosensor along with their advantages and limitations. 相似文献
466.
Pyrazole is a versatile lead compound to design potent bioactive molecules for drug discovery and development, particularly in cancer therapy. The aim of this review is to present the most recent deeds in the field of synthetic route made for functionalized pyrazole derivatives active against cell proliferation disease. The review article covers the synthesis of 1H-pyrazole, synthesis of N-substituted pyrazoles, synthesis of pyrazolopyrazoles, and synthesis of pyrazoles fused with a naturally occurring moiety. Some of these reported compounds have passed the preclinical or initial-phase clinical trials for their anticancer activity. 相似文献
467.
We describe the construction of a polyaniline (PANI), multiwalled carbon nanotubes (MWCNTs) and gold nanoparticles (AuNPs) modified Au electrode for determination of hydrogen peroxide without using peroxidase (HRP). The AuNPs/MWCNT/PANI composite film deposited on Au electrode was characterized by Scanning Electron Microscopy (SEM) and electrochemical methods. Cyclic voltammetric (CV) studies of the electrode at different stages of construction demonstrated that the modified electrode had enhanced electrochemical oxidation of H(2)O(2), which offers a number of attractive features to develop amperometric sensors based on split of H(2)O(2). The amperometric response to H(2)O(2) showed a linear relationship in the range from 3.0 μM to 600.0 μM with a detection limit of 0.3 μM (S/N = 3) and with high sensitivity of 3.3 mA μM(-1). The sensor gave accurate and satisfactory results, when employed for determination of H(2)O(2) in milk and urine. 相似文献
468.
Gunjan Chauhan Suvarcha Chauhan Surbhi Soni Anand Kumar Devendra Singh Negi Indra Bahadur 《中国化学会会志》2023,70(4):879-893
CoS@MorphcdtH NPs and CoS@4-MPipzcdtH NPs were synthesized by precipitation method involving three mechanisms: inclusion, occlusion, and adsorption. The synthesized NPs were characterized with the help of UV-Vis spectroscopy, FESEM-EDAX, powder x-ray diffraction, TEM, ESIMS, TG/DSC analysis. The morphology of the CoS@MorphcdtH NPs and CoS@4-MPipzcdtH NPs were hexagonal and rectangular, and the particles were in the range 7–12 nm. UV–visible spectral measurements showed surface plasmon resonance at 320 nm–340 nm with band gap of 3.65 eV–3.86 eV. The catalytically active CoSNPs called were investigated for the reduction of 4-nitrophenol (4-NP) via hydrogenation using sodium borohydride (NaBH4) as a reducing agent. Both the CoS NPs successfully reduced 4-NP to 4- aminophenol (4-AP) in a short time, catalytic performances are almost unchanged for the first five cycles. Herein, we report the preparation and characterizations of efficient active CoS NPs consisting carbodithioic acid framework as a support/capping material, along with catalytic property. 相似文献
469.
In the current scenario, people are highly concerned regarding their health and constantly desire a healthy and nutritious diet. Moringa oleifera is traditionally known as saijhan or drumstick tree. The plant is native to tropical Asia and thus found in various parts of the country India. Being a nutrient-rich plant, Moringa leaves play a vital role in the treatment of malnutrition. It also has anti-inflammatory, anti-spasmodic, anti-asthmatic, anti-ulcer, hypocholesterolemic, and hypoglycemic properties. Fresh fruits have also been desirable and in growing demand, because of healthy food consumption trends worldwide. The following study was undertaken to provide nutrient-rich food in the busy growing lifestyle. Thus, in this study, preparation and optimization of the Moringa leaf powder have been done. The final product is developed by incorporating Moringa leaf powder into pomegranate juice to prepare a ready-to-serve (RTS) beverage. On the basis of this study, it concluded that 100:2:2.8:0.2 concentration of Pomegranate, Moringa oleifera leaf powder, Sugar, Citric Acid is suitable for the preparation of Ready to Serve Beverage. In this study, proximate analysis and sensory evaluation have been performed to understand the overall acceptability of the final product. 相似文献
470.
Manjoorahmed Asamdi Prakashsingh M. Chauhan Janki J. Patel Kishor H. Chikhalia 《Tetrahedron》2019,75(25):3485-3494
An efficient and versatile strategy employing palladium catalyst to synthesize 5,6-dihydrophenanthridine derivatives by annulation of benzylamines and arynes through C–H activation has been reported. This is promising one pot methodology which includes the use of Kobayashi's aryne precursor to construct plethora of 5,6-dihydrophenanthridine derivatives in moderate to good yield. 相似文献