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Combinatorial Chemistry & High Throughput Screening

Ghasem Marandi
AIM AND OBJECTIVE: Reaction of cyclohexylisocyanide and 2-aminopyridine-3-carboxylic acid in the presence of benzaldehyde derivatives in ethanol led to 3-(cyclohexylamino)-2-arylimidazo[1,2-a]pyridine-8-carboxylic acids in high yields. In a three component condensation reaction, isocyanide reacts with 2-aminopyridine-3-carboxylic acid and aromatic aldehydes without any prior activation. MATERIAL AND METHODS: The synthesized products have stable structures which have been characterized by IR, 1H, 13C and Mass spectroscopy as well as CHN-O analysis...
April 16, 2018: Combinatorial Chemistry & High Throughput Screening
Feyza Oke-Altuntas, Mehmet Ali Demirci, Ibrahim Demirtas, Ayse Sahin Yaglioglu, Lutfi Behcet
AIM AND OBJECTIVE: Origanum acutidens (Hand.-Mazz.) Ietsw. is an endemic and perennial plant grown mainly in East Anatolia. Recently, natural plant products have attracted interest due to their safety and therapeutic effects. Therefore, the aim of this study was to investigate phytochemical contents and biological effects of Origanum acutidens. MATERIALS AND METHODS: The aerial parts of O. acutidens were extracted with water, ethyl acetate, n-butanol, and methanol/chloroform solvents...
April 16, 2018: Combinatorial Chemistry & High Throughput Screening
Shikha Agarwal, Divyani Gandhi
BACKGROUND: Heterocycles has extended into wide spread use for generating large collection of molecules in multi-component reactions. The development of new strategies for fused pyrimidobenzothiazole system has remained a highly attractive but challenging proposition for scientists working all around. OBJECTIVE: The main objective of this work is to explore the utility of different catalysts as an eco-friendly reaction medium for green Biginellis reaction. METHOD: A detailed study of Biginellis reactions using various catalysts was done using different research tools...
March 30, 2018: Combinatorial Chemistry & High Throughput Screening
Mohammad Ali Ghasemzadeh, Mohammad Hossein Abdollahi-Basir, Zahra Elyasi
This research introduces a privileged and efficient approach for the preparation of some 1,2,4,5-tetrasubstituted imidazole derivatives via multi-component condensations in the presence of Co3O4 nanoparticles as robust and green catalyst. The one-pot reaction of primary amines, benzil, ammonium acetate and diverse aromatic aldehydes is described under ultrasonic irradiation. This protocol offers the advantages of short reaction times, mild reaction conditions, high yields and the employment of a cost-effective catalyst...
March 30, 2018: Combinatorial Chemistry & High Throughput Screening
Zehao Huang, Na Li, Kaifeng Rao, Cuiting Liu, Zijian Wang, Mei Ma
BACKGROUND: More than 2,000 chemicals have been used in the tannery industry. Although some tannery chemicals have been reported to have harmful effects on both human health and the environment, only a few have been subjected to genotoxicity and cytotoxicity evaluations. OBJECTIVE: This study focus on cytotoxicity and genotoxicity of ten tannery chemicals widely used in China. MATERIALS AND METHODS: DNA-damaging effects were measured using the SOS/umu test with Salmonella typhimurium TA1535/pSK1002...
March 30, 2018: Combinatorial Chemistry & High Throughput Screening
Amit Lather, Anurag Khatkar, Sunil Sharma
BACKGROUND: Infections caused by microorganisms are the major cause of death today. The tremendous and improper use of antimicrobial agents leads to antimicrobial resistance. AIM AND OBJECTIVE: Various currently available antimicrobial drugs are inadequate to control the infections and lead to various adverse drug reactions. Efforts based on computer-aided drug design (CADD) can excavate a large number of databases to generate new, potent hits and minimize the requirement of time as well as money for the discovery of newer antimicrobials...
March 29, 2018: Combinatorial Chemistry & High Throughput Screening
Amit Shivajirao Waghmare, Shivaji Sandu Pandit, Dayanand M Suryawanshi
AIM AND OBJECTIVE: 4H-pyran is one of the most well-known groups of synthetic heterocyclic compounds and it has attracted considerable attention of chemists in recent years because of their extensive range of biological and pharmaceutical activities. These compounds are used as antibacterial, anticancer agents, anti-coagulants, spasmolytics and anti-anaphylactic. 4H-pyran derivatives are utilized in cosmetics, pigments, biodegradable agrochemicals as well as photoactive materials. In addition, 4H-pyrans are also helpful as cognitive enhancers for the treatment of neuro degenerative diseases, including Alzheimer's disease, as well as for the treatment of schizophrenia and myoclonus...
March 14, 2018: Combinatorial Chemistry & High Throughput Screening
Frederico Favaro Ribeiro, Francisco Jaime Bezerra Mendonca, Jahan B Ghasemi, Hamilton M Ishiki, Marcus Tullius Scotti, Luciana Scotti
Since antiquity, humanity has used medicinal plant preparations to cure its ills, and, as research has progressed, new technologies have enabled more investigations on natural compounds which originate from plants, fungi, and marine species. The health benefits that these natural products provide have become a motive for treatment studies of various diseases. Among them, the neurodegenerative diseases like Alzheimer's and Parkinson's, a major age-related neurodegenerative disorder. Studies with natural products for neurodegenerative diseases (particularly through molecular docking) search for, and then focus on those ligands which offer effective inhibition of the enzymes monoamine oxidase and acetylcholinesterase...
March 13, 2018: Combinatorial Chemistry & High Throughput Screening
Younes Ghalandarzehi, Mehdi Shahraki, Sayyed Mostafa Habibi-Khorassani
The synthesis of highly substituted piperidine from the one-pot reaction between aromatic aldehydes, anilines and β-ketoesters in the presence of tartaric acid as a catalyst has been investigated in both methanol and ethanol media at ambient temperature. The use of tartaric acid had many advantages such as mild reaction conditions, simple and readily available precursors and inexpensive catalyst. In order to determine the thermodynamic parameters, experiments were carried out under different temperature and solvent conditions...
February 27, 2018: Combinatorial Chemistry & High Throughput Screening
Li Liang, Qianqian Zhou, Zhixiang Hao, Fanfan Wang, Yasheng Zhu, Qisi Lin, Jian Gao
BACKGROUND: In recent years, Staphylococcus aureus have developed resistance to medicines used for the treatment of human infections. Therefore, the search for antibacterial agents of high potency against Staphylococcus aureus is of great concern. Peptide deformylase (PDF), a metalloprotease catalyzing the removal of a formyl group from newly synthesized proteins, has been considered to be an important antibacterial drug target. OBJECTIVE: To discover novel antibacterial drugs based on Staphylococcus aureus peptide deformylase...
February 20, 2018: Combinatorial Chemistry & High Throughput Screening
Chun Li, Jialing Zhao, Changzhong Wang, Yuhua Yao
The rapid increase in the amount of protein sequence data available leads to an urgent need for novel computational algorithms to analyze and compare these sequences. In this paper, based on two physicochemical properties of amino acids, a protein primary sequence is converted into a three-letter sequence, and then a graph without loops and multiple edges and its geometric line adjacency matrix are obtained. A generalized PseAAC (pseudo amino acid composition) model is thus constructed to numerically characterize a protein sequence...
January 29, 2018: Combinatorial Chemistry & High Throughput Screening
Marcin Koba, Jolanta Stasiak, Tomasz Baczek
AIM AND OBJECTIVE: In this study, chemometric methods as correlation analysis, cluster analysis (CA), principal component analysis (PCA), and factor analysis (FA) have been used to reduce the number of chromatographic parameters (logk/logkw) and various (e.g., 0D, 1D, 2D, 3D) structural descriptors for three different groups of drugs, such as 12 analgesic drugs, 11 cardiovascular drugs and 36 "other" compounds and especially to choose the most important data of them. MATERIAL AND METHODS: All chemometric analyses have been carried out, graphically presented and also discussed for each group of drugs...
January 28, 2018: Combinatorial Chemistry & High Throughput Screening
Zhaohui Liang, Jun Liu, Jimmy Xiangji Huang, Xing Zeng
OBJECTIVE: The genetic polymorphism of Cytochrome P450 (CYP 450) is considered as one of the main causes for adverse drug reactions (ADRs). In order to explore the latent correlations between ADRs and potentially corresponding single-nucleotide polymorphism (SNPs) in CYP450, three algorithms based on information theory are used as the main method to predict the possible relation. METHODS: The study uses a retrospective case-control study to explore the potential relation of ADRs to specific genomic locations and single-nucleotide polymorphism (SNP)...
January 14, 2018: Combinatorial Chemistry & High Throughput Screening
Tzu-Hung Hsiao, Yu-Chiao Chiu, Yu-Heng Chen, Yu-Ching Hsu, Hung-I Harry Chen, Eric Y Chuang, Yidong Chen
The number of anticancer drugs available currently is limited, and some of them have low treatment response rates. Moreover, developing a new drug for cancer therapy is labor intensive and sometimes cost prohibitive. Therefore, "repositioning" of known cancer treatment compounds can speed up the development time and potentially increase the response rate of cancer therapy. This study proposes a systems biology method for identifying new compound candidates for cancer treatment in two separate procedures...
January 5, 2018: Combinatorial Chemistry & High Throughput Screening
Guan-Jie Hua, Che-Lun Hung, Chuan Yi Tang
In this paper, we propose a novel heterogeneous high performance computing method, named as Hadoop-MCC, integrating Hadoop and GPU, to compare huge amount of chemical structures efficiently. The proposed method gains the high availability and fault tolerance from Hadoop, as Hadoop is used to scatter input data to GPU devices and gather the results from GPU devices. A comparison of LINGO is performed on each GPU device in parallel. According to the experimental results, the proposed method on multiple GPU devices can achieve better computational performance than the CUDA-MCC on a single GPU device...
January 2, 2018: Combinatorial Chemistry & High Throughput Screening
Che-Lun Hung
No abstract text is available yet for this article.
2018: Combinatorial Chemistry & High Throughput Screening
Luciana Scotti, Jahan Ghasemi, Marcus T Scotti
No abstract text is available yet for this article.
2018: Combinatorial Chemistry & High Throughput Screening
Gerald H Lushington
No abstract text is available yet for this article.
2018: Combinatorial Chemistry & High Throughput Screening
Sanal Dev, Sunil R Dhaneshwar, Bijo Mathew
AIM AND OBJECTIVE: For the development of new class of anticancer agents, a series of novel 2-amino-3-cyanopyridine derivatives were designed from virtual screening with Glide program by setting Topoisomerase II as the target. MATERIALS AND METHODS: The top ranked ten molecules from the virtual screening were synthesized by microwave assisted technique and investigated for their cytotoxic activity against MCF-7 and A- 549 cell lines by using sulforhodamine B assay method...
2018: Combinatorial Chemistry & High Throughput Screening
Amir Samani, Shahrzad Abdolmohammadi, Asieh Otaredi-Kashani
AIM AND OBJECTIVE: The xanthene (dibenzopyran) framework constitutes the core structure of many biologically active compounds, that they have been of interest because of their pharmacological activities like antiviral, antibacterial, anti-inflammatory, and CCR1 antagonist. As heterogeneous catalysts offer several advantages over homogeneous catalysts, the performance of reactions on the surface of nanosized heterogeneous salts has received a great deal of interest in recent years. In the area of nanosized heterogeneous catalysts there is a noticeable range of reactions that are catalyzed efficiently by TiO2 NPs...
2018: Combinatorial Chemistry & High Throughput Screening
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