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Combinatorial Chemistry & High Throughput Screening

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https://www.readbyqxmd.com/read/30426895/synthesis-of-novel-%C3%AE-amidino-carboxylic-acids-and-their-use-as-h-bond-catalysts-in-strecker-reaction
#1
Zahra Zaghari, Javad Azizian
AIM AND OBJECTIVE: A wide variety of synthesized amidine derivatives are bioactive compounds. They show a vast range of medical properties. Therefore, a simple route for synthesis of novel class of amidine derivatives called amidino carboxylic acids and their use as catalysts in Strecker reaction has been reported in the current work. The stability, local charge density and hydrogen bond parameters were calculated for eight derivatives with different substituents. MATERIALS AND METHODS: In order to synthesis these amidino carboxylic acids, we initially prepared Knovenogel condensation products via the reaction of isatin derivatives with malonitrile...
November 13, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30398113/preparation-and-characterization-of-a-novel-room-temperature-dicationic-ionic-liquid-and-its-application-in-the-synthesis-of-xanthenediones-under-solvent-free-conditions
#2
Zainab Ehsani-Nasab, Ali Ezabadi
A novel room temperature dicationic ionic liquid, namely 1, 1'-sulfinyldiethylammonium bis (hydrogen sulfate), was prepared and characterized by 1H NMR, 13C NMR, and FT-IR as well as Hammett acidity function and used as a powerful and recyclable catalyst for the synthesis of xanthenediones with high to excellent yields as well as short reaction times under solvent-free conditions.
November 5, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30360705/predicting-inhibitors-for-multidrug-resistance-associated-protein-2-transporter-by-machine-learning-approach
#3
Sahil Kharangarh, Hardeep Sandhu, Sujit Tangadpalliwar, Prabha Garg
BACKGROUND: The efflux transporter multidrug resistance associated protein-2 belongs to ATP-binding cassette superfamily which plays an important role in multidrug resistance and drug-drug interactions. Efflux transporters are considered to be important target for increasing the efficacy of drugs and importance of computational study of efflux transporters for predicting substrates, non-substrates, inhibitors and non-inhibitors is well documented. Previous work on predictive models for inhibitors of multidrug resistance associated Protein-2 efflux transporter showed that machine learning methods produced good results...
October 23, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30338734/synthesis-of-functionalized-magnetite-titanium-dioxide-nanocomposite-for-removal-of-acid-fuchsine-dye
#4
Sara Rahnama, Shahab Shariati, Fatan Divsar
In this research, a novel magnetite titanium dioxide nanomesopore functionalized by amine groups (Fe3O4@SiO2@TiO2-NH2) was synthesized and its potential for efficient removal of Acid fuchsine (AF) as an anionic dye from aqueous solutions was investigated. For this aim, the core-shell structure of Fe3O4@SiO2@TiO2 was prepared using Fe3O4 as magnetic core, tetra ethyl orthosilicate as silica and tetra butyl titanate as titanium sources for shell. The synthesized nanomesopores (particle size lower than 44 nm) were characterized by FT-IR, XRD, DRS, SEM and TGA instruments...
October 19, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30338733/ischemia-modified-albumin-a-novel-systemic-indicator-of-periodontal-tissue-damage
#5
M Ayse Tayman, Canan Onder, Sivge Kurgan, Muhittin A Serdar, Meral Gunhan
BACKGROUND: Ischemia-modified albumin (IMA) is a systemic indicator of inflammatory diseases and is suggested as an oxidative stress marker. OBJECTIVE: To determine the IMA and high-sensitivity C-reactive protein (hsCRP) serum levels for patients with chronic periodontitis (CP) and to evaluate the impact of non-surgical periodontal therapy on serum IMA and hsCRP levels. METHODS: Twenty one systemically healthy patients with CP and 15 systemically and periodontally healthy controls (C) were enrolled in the study...
October 18, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30338732/tio2-nps-coated-carbone-nanotubes-as-a-green-and-efficient-catalyst-for-the-synthesis-of-1-benzopyrano-b-1-benzopyranones-and-xanthenols-in-water
#6
Shahrzad Abdolmohammadi
AIM AND OBJECTIVE: Results of pharmacological studies have revealed that chromenes (2H-1-benzopyran derivatives) and xanthenes (dibenzopyrans) constitute major classes of heterocyclic compounds, due to their useful biological activities. Moreover, during the last decade, the use of metal oxide nanoparticles (NPs) as heterogeneous catalysts has been extensively studied due to their high physical and chemical abilities. The aim of the ongoing research was to prove the catalytic efficiency of the synthesized TiO2 NPs supported by carbon nanotubes (TiO2-CNTs) for the preparation of these heterocyclic scaffolds...
October 18, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30338731/inexpensive-weight-reducing-aid-l-carnitine-as-an-efficient-catalyst-for-synthesis-of-benzimidazoles
#7
Min Zhang, Guoling Huang, Xuefang Zhang, Zhenyuan Lin, Yibiao Li, Bin Li, Lu Chen
AIM AND OBJECTIVE: The benzimidazole derivatives have been obtained via weight-reducing aid (L-Carnitine) as a cheap catalyst. A wide range of aromatic aldehydes easily undergo condensations with substituted o-phenylendiamine under mild condition to afford the target molecular in excellent yields. MATERIALS AND METHODS: Melting points were measured on an Electrothemal X6 microscopy digital melting point apparatus. 1H NMR and 13C NMR spectra were recorded in DMSO-d6 on a Bruker AVANCE 400 (400 MHz) instrument with the TMS at d 0...
October 18, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30306862/development-of-an-information-system-of-structures-and-force-field-parameters-of-chemical-compounds-from-sri-lankan-flora
#8
Samith Rathnayake, Samantha Weerasinghe
BACKGROUND: Sri Lanka offers a huge diversity of flora with a large proportion of those being endemic to the island. Both the endemic and native plants species serve as a rich bank of phytochemicals. METHOD: In this study, "Sri Lankan Flora" an online web-based information system of phytochemical compounds isolated from the flora of Sri Lanka was proposed. RESULTS: The database contained 3D structures of those compounds, calculated quantitative-structure-activity relationship (QSAR) data and the GROMOS 54a7 force field parameters for each and every compound...
October 10, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30289064/neuroprotective-effects-of-extracts-from-the-radix-curcuma-aromatic-on-h2o2-induced-damage-in-pc12-cells
#9
Juxiang Liu, Lianli Zhang, Dan Liu, Baocai Li, Mi Zhang
Aim & objectives: Curcumins, also known as diarylheptanoids, are regarded as characteristic constituents in Curcuma, which have obviously neuroprotective activities against oxidative stress. As one of Traditional Chinese Medicines from Curcuma, the radix of Curcuma aromatic is also rich in curcumins, but its neuroprotective activity and underlying mechanism remains unknown. The aim of current study is to evaluate the neuroprotective effects of different extracts from the radix of C. aromatic (ECAs) on hydrogen peroxide (H2O2) -damaged PC12 cells...
October 5, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30264675/quantitative-structure-property-relationship-qspr-investigation-of-camptothecin-drugs-derivatives
#10
Neda Ahmadinejad, Fatemeh Shafiei, Tahereh Momeni Isfahani
AIM AND OBJECTIVE: Quantitative Structure- Property Relationship (QSPR) has been widely developed to derive a correlation between chemical structures of molecules to their known properties. In this study, QSPR models have been developed for modeling and predicting thermodynamic properties of 76 camptothecin derivatives using molecular descriptors. MATERIALS AND METHODS: Thermodynamic properties of camptothecin such as the thermal energy, entropy and heat capacity were calculated at Hartree-Fock level of theory and 3-21G basis sets by Gaussian 09...
September 26, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30255746/synthesis-and-antifungal-activity-evaluation-of-drimane-amide-derivatives-from-sclareol
#11
Miaofeng Ma, Jili Feng, Dezhi Wang, Shu-Wei Chen, Hui Xu
Drimane-amide derivatives were synthesized and their antifungal activities were assayed using the mycelium growth rate method. In vitro evaluations showed that compound A3 exerted the greatest antifungal activity against Botrytis cinerea and Glomerella cingulata, with IC50 values of 3.36 and 3.18 ?g/mL, respectively. Analysis of the structure-activity relationship data for compounds A1-10 revealed that intramolecular hydrogen bonding or steric effect had marked impact on antifungal activity, and presence of the m-/p-fluorophenyl group appeared to be critical for the antifungal activities of this series of compounds...
September 25, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30215332/simultaneous-electrochemical-evaluation-of-ascorbic-acid-epinephrine-and-uric-acid-at-disposable-pencil-graphite-electrode-highly-sensitive-determination-in-pharmaceuticals-and-biolocigial-liquids-by-differential-pulse-voltammetry
#12
Abdulkadir Levent, Gunay Onal
In this study, pencil graphite electrode (PGE) was used for the simultaneous determination of ascorbic acid (AA), epinephrine (EP) and uric acid (UA) by differential pulse voltammetry (DPV) and cyclic voltammetry (CV) methods. The electrochemical oxidation peaks of, AA, NE and UA in their mixture can be well separated at about +0.15 V, +0.36 V and +0.48 V, respectively, in 0.1 M Britton-Robinson (BR) buffer solution at pH 4.0. The effects of various experimental parameters such as pH, scan rate and voltammetric parameters on the voltammetric response of these compounds were investigated...
September 14, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30209996/structural-characterization-of-gallbladder-stones-using-energy-dispersive-x-ray-spectroscopy-eds-and-x-ray-diffraction-xrd
#13
Hassan A Almarshad, Sayed M Badawy, Abdalkarem F Alsharari
OBJECTIVES: Formation of the gallbladder stones is a common disease which constitutes a major health problem. The present study aimed for identify the gallbladder stones for determining the risk factors of gallstones and developing therapeutic and preventive strategies. SETTING: Chemical analysis for pure and mixed cholesterol gallstones obtained from gallbladders of the patients. METHODS: Phase and elemental compositions of gallstones removed from gallbladders of two patients were studied using Energy-Dispersive X-ray Spectroscopy (EDS) combined with Scanning electron microscopy (SEM) analysis, and X-ray diffraction (XRD)...
September 12, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30207217/serum-interleukin-33-as-a-biomarker-in-predicting-neonatal-sepsis-in-very-low-birth-weight-infants
#14
Halit Halil, Cuneyt Tayman, Mehmet Buyuktiryaki, Nilufer Okur, Ufuk Cakir, Utku Serkant
BACKGROUND: Neonatal sepsis is among the most common causes of death in newborns. Early diagnosis is essential to reduce morbidity and mortality. The rapid progression of the disease requires the application of biomarkers specific for early diagnosis and intervention. OBJECTIVE: Our aim was to evaluate the efficacy of interleukin-33 measurements in the diagnosis and follow-up of neonatal sepsis. METHOD: We included 51 infants with neonatal sepsis as the study group and 50 infants without sepsis as the control group...
September 10, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30152280/synthesis-and-characterization-of-a-novel-ionic-liquid-based-on-n-n-n-n-tetra-methyl-ethylene-diamin-and-its-application-in-the-synthesis-of-1-8-dioxo-octahydro-xanthenes
#15
Zahra Abdi Piralghar, Mohammad Mahmoodi Hashemi, Ali Ezabadi
N,N,N,N-tetra methyl ethylene diamine chlorosulphonic acid[TEMEDCSA], a novel sulfonic acid functionalized ionic liquid, was prepared, characterized and use as efficient catalyst for synthesis of 1,8 - dioxo- octahydroxanthenes under solvent-free conditions. This procedure has several advantages including use of easily prepared, cheap and recyclable catalyst, high yields, short reaction times, simplicity and easy purification.
August 27, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30147010/application-of-qsar-analysis-and-different-quantum-chemical-calculation-methods-in-activity-evaluation-of-selected-fluoroquinolones
#16
Piotr Kawczak, Leszek Bober, Tomasz Baczek
BACKGROUND: A set of antibiotic fluoroquinolones with confirmed antimicrobial activity were analyzed with the use of two types of quantum chemical calculation methods and quantitative structure-activity relationships (QSAR). OBJECTIVE: The purpose of this study was to demonstrate the common and differentiating characteristics of the above mentioned chemical compounds alike physicochemically as well as pharmacologically based on the quantum chemical calculations and microbiological activity data...
August 26, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30129405/identification-of-xanthine-derivatives-as-inhibitors-of-phosphodiesterase-9a-through-in-silico-and-biological-studies
#17
Nivedita Singh, Swagata Patra, Sanjukta Patra
BACKGROUND: In recent times, computer aided methodologies have received broad attention in drug development. These studies have improved the accuracy and shortened the time frame to identify suitable drug candidates from large datasets. Xanthine is a plant alkaloid which also acts as an intermediate product on the pathway of purine degradation. Xanthine acts as scaffold for various natural and synthetically derived bioactive molecules. OBJECTIVE: The present work aims to screen xanthine derivatives targeting phosphodiesterase 9A (PDE9A), one of the most important regulatory protein of signal transduction...
August 20, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30117389/a-simple-and-one-pot-synthesis-of-tetrahydrobenzo-b-pyrans-and-spirooxindoles-catalyzed-by-h-fe3o4-da-so3h-as-an-efficient-light-and-reusable-nanocatalyst
#18
Marziye Sadat Mirhosseyni, Firouzeh Nemati, Ali Elhampour
AIM AND OBJECTIVE: One of the principles of green chemistry is using inexpensive reagents and catalysts to design green route for synthesis of organic compounds. Recently magnetic nanoparticles have provided a considerable merits. In this study, hollow Fe3O4@Dopamine-SO3H has been successfully applied for the green synthesis of tetrahydrobenzo[b]pyrans and spirooxindoles via one-pot multi-component reaction. MATERIALS AND METHODS: Chemical reagents were purchased from Merck and Aldrich...
August 17, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30014802/controlled-growth-and-characterization-ag-zno-nanotetrapods-for-humidity-sensing
#19
Babak Sadeghi
AIM AND OBJECTIVE: Ultrafine Ag/ZnO nanotetrapods (AZNTP) have been prepared successfully using silver (I)-bis (oxalato) zincs complex and 1, 3-diaminopropane (DAP) with a phase separation system, have been injected into a diethyl/water solution. MATERIALS AND METHODS: This crystal structure and lattice constant of the AZNTP obtained were investigated by means of a SEM, XRD, TEM and UV-vis spectrum. RESULTS: The results in the present study demonstrated the growth and characterization AZNTP for humidity sensing and DAP plays a key role in the determination of particle morphology...
July 17, 2018: Combinatorial Chemistry & High Throughput Screening
https://www.readbyqxmd.com/read/30182826/novel-bioinformatics-and-systems-biology-approaches-and-techniques-in-pharmaceutical-and-biochemical-sciences
#20
EDITORIAL
Yudong Cai
No abstract text is available yet for this article.
2018: Combinatorial Chemistry & High Throughput Screening
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