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Combinatorial Chemistry & High Throughput Screening

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
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
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
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
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
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
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
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
Yudong Cai
No abstract text is available yet for this article.
2018: Combinatorial Chemistry & High Throughput Screening
Clement Agoni, Pritika Ramharack, Mahmoud E S Soliman
BACKGROUND: Rifampin resistance has dampened the existing efforts being made to control the global crisis of Tuberculosis and antimicrobial resistance in general. Previous studies that attempted to provide insights into the structural mechanism of Rifampin resistance did not utilize the X-ray crystal structure of Mycobacterium tuberculosis RNA polymerase due to its unavailability. METHODS/RESULTS: We provide an atomistic mechanism of Rifampin resistance in a single active site mutating Mycobacterium tuberculosis RNA polymerase, using a recently resolved crystal structure...
2018: Combinatorial Chemistry & High Throughput Screening
Haihong Liu, Lina Guo, Fang Yan, Linghai Zhang
AIMS AND OBJECTIVE: In order to understand the dynamic mechanisms of tumor growth and make a contribution to develop anti-cancer treatment strategies, a mathematical model for tumor growth with two-time delays is proposed in this article. MATERIALS AND METHODS: First, the relationships among host cells, tumor cells and effector cells, and the biological meaning of two-time delays are explained. Moreover, the system stability is discussed by analyzing the characteristic equation of the model...
2018: Combinatorial Chemistry & High Throughput Screening
Ebru Dundar Yenilmez, Lut Tamam, Onur Karaytug, Abdullah Tuli
BACKGROUND: The interindividual genetic variations in drug metabolizing enzymes effects the impact and toxicity in plenty of drugs. OBJECTIVE: CYP1A2, CYP2C9, CYP2C19 and CYP2D6 gene polymorphisms were characterized using high resolution melting analysis (HRMA) in follow-up patients in psychiatry clinic as a preliminary preparation for personalized medicine. METHOD: Genotyping of CYP1A2*1F, CYP2C9 *2, *3, CYP2C19 *2, *3 and *17 and CYP2D6 *3, *4 was conducted in 101 patients using HRMA...
2018: Combinatorial Chemistry & High Throughput Screening
Hossein Atabati, Kobra Zarei, Hamid Reza Zare-Mehrjardi
AIM AND OBJECTIVE: Human dihydroorotate dehydrogenase (DHODH) catalyzes the fourth stage of the biosynthesis of pyrimidines in cells. Hence it is important to identify suitable inhibitors of DHODH to prevent virus replication. In this study, a quantitative structure-activity relationship was performed to predict the activity of one group of newly synthesized halogenated pyrimidine derivatives as inhibitors of DHODH. MATERIALS AND METHODS: Molecular structures of halogenated pyrimidine derivatives were drawn in the HyperChem and then molecular descriptors were calculated by DRAGON software...
2018: Combinatorial Chemistry & High Throughput Screening
Gerald H Lushington
No abstract text is available yet for this article.
2018: Combinatorial Chemistry & High Throughput Screening
Selvaraman Nagamani, Chandrasekhar Kesavan, Karthikeyan Muthusamy
AIM AND OBJECTIVE: Vitamin D3 (1,25(OH)2D3) is a biologically active metabolite and plays a wide variety of regulatory functions in human systems. Currently, several Vitamin D analogues have been synthesized and tested against VDR (Vitamin D Receptor). Electrostatic potential methods are greatly influence the structure-based drug discovery. In this study, ab inito (DFT, HF, LMP2) and semi-empirical (RM1, AM1, PM3, MNDO, MNDO/d) charges were examined on the basis of their concert in predicting the docking pose using Induced Fit Docking (IFD) and binding free energy calculations against the VDR...
2018: Combinatorial Chemistry & High Throughput Screening
Farahnaz Rezaei Makhouri, Jahan B Ghasemi
BACKGROUND: The acetylated inclusions containing TDP-43 are found in the spinal cord of amyotrophic lateral sclerosis (ALS) patients, suggesting that aberrant TDP-43 acetylation and resulting disruption of RNA binding are linked to onset and progression of TDP-43 proteinopathy. METHODS: Here, the consequences of TDP-43 acetylation at Lys145 within the RRM1 domain and Lys192 within the RRM2 domain were studied using experimentally verifiable molecular models, in which lysine residues (K) were substituted with glutamine (Q) as an acetylation mimic (K→Q) and with arginine (R) as a non-mimic (K→R) mutant...
2018: Combinatorial Chemistry & High Throughput Screening
Lars Carlsen, Rainer Bruggemann
AIM AND OBJECTIVE: In chemistry, there is a long tradition in classification. Usually, methods are adopted from the wide field of cluster analysis. The present study focusses on the application of partial ordering methodology for the classification of 21 alkyl substituted anilines. MATERIALS AND METHODS: The analyses are based on the concepts from partial order methodology and cluster analyses. Here, with the example of 21 alkyl anilines, we show that concepts taken out from the mathematical discipline of partially ordered sets may be applied for classification...
2018: Combinatorial Chemistry & High Throughput Screening
Shahrzad Abdolmohammadi, Seyed Reza Rasouli Nasrabadi, Ahmad Seif, Narges Elmi Fard
AIM AND OBJECTIVE: Chromene derivatives are privileged heterocyclic systems that exhibit various types of biological properties such as antioxidant, anticancer, antimicrobial, hypotensive, and local anesthetic. Cadmium sulfide nanoparticles (CdS NPs) as an efficient heterogeneous catalyst is used in various organic transformations because of its certain unique and unusual physico-chemical properties. The effectiveness of catalytic activity of CdS NPs can be improved due to the combined effect of Ag particles...
2018: Combinatorial Chemistry & High Throughput Screening
Shuaiqun Wang, Wei Kong, Aorigele, Jin Deng, Shangce Gao, Weiming Zeng
AIMS AND OBJECTIVE: Redundant information of microarray gene expression data makes it difficult for cancer classification. Hence, it is very important for researchers to find appropriate ways to select informative genes for better identification of cancer. This study was undertaken to present a hybrid feature selection method mRMR-ICA which combines minimum redundancy maximum relevance (mRMR) with imperialist competition algorithm (ICA) for cancer classification in this paper. MATERIALS AND METHODS: The presented algorithm mRMR-ICA utilizes mRMR to delete redundant genes as preprocessing and provide the small datasets for ICA for feature selection...
2018: Combinatorial Chemistry & High Throughput Screening
Conghua Wang, Fang Yan, Yuan Zhang, Haihong Liu, Linghai Zhang
AIMS AND OBJECTIVE: A large number of experimental evidences report that the oscillatory dynamics of p53 would regulate the cell fate decisions. Moreover, multiple time delays are ubiquitous in gene expression which have been demonstrated to lead to important consequences on dynamics of genetic networks. Although delay-driven sustained oscillation in p53-based networks is commonplace, the precise roles of such delays during the processes are not completely known. METHOD: Herein, an integrated model with five basic components and two time delays for the network is developed...
2018: Combinatorial Chemistry & High Throughput Screening
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