Self-Organizing Map (SOM) and Support Vector Machine (SVM) Models for the Prediction of Human Epidermal Growth Factor Receptor (EGFR/ ErbB-1) Inhibitors.

abstract：:Protein methyltransferases (PMTs) orchestrate epigenetic modifications through post-translational methylation of various protein substrates including histones. Since dysregulation of this process is widely implicated in many cancers, it is of pertinent interest to screen inhibitors of PMTs, as they offer novel target-...

journal_title：Combinatorial chemistry & high throughput screening

authors： Ibanez G,Shum D,Blum G,Bhinder B,Radu C,Antczak C,Luo M,Djaballah H

更新日期：2012-06-01 00:00:00

abstract：AIM AND OBJECTIVE:Lung cancer is a highly heterogeneous cancer, due to the significant differences in molecular levels, resulting in different clinical manifestations of lung cancer patients there is a big difference. Including disease characterization, drug response, the risk of recurrence, survival, etc. Method:Clin...

journal_title：Combinatorial chemistry & high throughput screening

authors： Guo B,Zheng Q

更新日期：2018-01-01 00:00:00

abstract：INTRODUCTION:Enzymatic degradation of peptidoglycan, a structural cell wall component of Gram-positive bacteria, has attracted considerable attention being a specific target for many known antibiotics. METHODS:Peptidoglycan hydrolases are involved in bacterial lysis through peptidoglycan degradation. β-N-acetylglucosa...

journal_title：Combinatorial chemistry & high throughput screening

authors： Rathee A,Panwar A,Kumari S,Chhibber S,Kumar A

更新日期：2020-11-03 00:00:00

abstract：AIM AND OBJECTIVE:4-Hydroxyphenylpyruvate dioxygenase (HPPD), converting phydroxyphenylpyruvate (HPPA) to homogentisate (HGA), is an important target for treating type I tyrosinemia and synthesizing novel herbicides due to its significant role in tyrosine catabolism. Hence, it is imperative to design novel HPPD inhibit...

journal_title：Combinatorial chemistry & high throughput screening

authors： Fu Y,Sun YN,Cao HF,Yi KH,Zhao LX,Li JZ,Ye F

更新日期：2017-01-01 00:00:00

abstract：:Recent studies have suggested that both constitutive androstane receptor (CAR) and pregnane X-receptor (PXR) are involved in the induction of rat liver microsomal cytochrome P-450 (CYP) 2B and 3A through a mechanism called cross-talk. In this study we intend to determine if a PXR-reporter gene assay could be used for ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Cui X,Thomas A,Montgomery D,Gu C,Morrison RA,White RE,Cheng KC

更新日期：2005-06-01 00:00:00

abstract：:Centaurea solstitialis L. ssp. solstitialis (CSS) has been used as medicine for various diseases. In this work, root, stem and flower parts of the plant were separately extracted with methanol to execute bioassay-guided isolation. Antiproliferative activities of each extracts on C6 cells (Rat Brain tumor cells) and He...

journal_title：Combinatorial chemistry & high throughput screening

authors： Erenler R,Sen O,Yaglioglu AS,Demirtas I

更新日期：2016-01-01 00:00:00

abstract：:Lipopolysaccharides (LPS), otherwise termed 'endotoxins', are outer-membrane constituents of Gram-negative bacteria. Lipopolysaccharides play a key role in the pathogenesis of 'Septic Shock', a major cause of mortality in the critically ill patient. Therapeutic options aimed at limiting downstream systemic inflammator...

journal_title：Combinatorial chemistry & high throughput screening

authors： Wood SJ,Miller KA,David SA

更新日期：2004-05-01 00:00:00

abstract：:Direct renin inhibitors (DRIs) have increasingly shown a significant advantage in the treatment of hypertension and protection of target organs. In this paper, a series of azaindole class renin inhibitors were subjected to 3D-QSAR study using Topomer CoMFA. Five kinds of splitting mode for different fragment cutting a...

journal_title：Combinatorial chemistry & high throughput screening

authors： Xiang Y,Song J,Zhang Z

更新日期：2014-01-01 00:00:00

abstract：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 character...

journal_title：Combinatorial chemistry & high throughput screening

authors： Kawczak P,Bober L,Bączek T

更新日期：2018-01-01 00:00:00

abstract：:Cell-based screening using phenotypic assays is a useful means of identifying bioactive chemicals for use as tools to elucidate complex cellular processes. However, the chemicals must display sufficient selectivity and their targets have to be identified. We describe how cell-based screening assays can be designed to ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Schriemer DC,Kemmer D,Roberge M

更新日期：2008-09-01 00:00:00

abstract：:In pursuit of utilizing combinatorial peptide libraries on beads, rapid and robust screening is one of the key steps for the success of high-throughput process. We have introduced improved structural features that greatly facilitate a MALDI-MS/MS-based sequencing, associated with easy and fast synthesis and analysis o...

journal_title：Combinatorial chemistry & high throughput screening

authors： Jee JE,Ang YL,Cha J,Ang MW,Ling J,Lim J,Lee SS

更新日期：2014-01-01 00:00:00

abstract：:Generation of in vitro cellular assays using fluorescence measurements at heterologously expressed NMDA receptors would speed up the process of ligand characterization and enable high-throughput screening. The major drawback to the development of such assays is the cytotoxicity caused by Ca(2+)-flux into the cell via ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Hansen KB,Bräuner-Osborne H,Egebjerg J

更新日期：2008-05-01 00:00:00

abstract：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 ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Liang L,Zhou Q,Hao Z,Wang F,Zhu Y,Lin Q,Gao J

更新日期：2018-01-01 00:00:00

abstract：:Clinical application of viral vectors is often hampered by the lack of selectivity of viral particles for the targeted tissue. This drawback decreases the efficiency of gene delivery and raises safety concerns. We successfully established a novel in vitro evolution protocol to engineer adeno-associated virus vectors w...

journal_title：Combinatorial chemistry & high throughput screening

authors： Märsch S,Huber A,Hallek M,Büning H,Perabo L

更新日期：2010-11-01 00:00:00

abstract：:As HTS technologies come of age, pharmaceutical companies are focusing increasingly on the quality of their screening collections. Storage conditions and their influence on compound stability and solubility are debated intensely. At Novartis, a strategy was developed that is different to most other companies: (1) comp...

journal_title：Combinatorial chemistry & high throughput screening

authors： Schopfer U,Engeloch C,Stanek J,Girod M,Schuffenhauer A,Jacoby E,Acklin P

更新日期：2005-09-01 00:00:00

abstract：:Two approaches were utilized to increase the throughput of pulsed ultrafiltration assays of ligand binding to human serum albumin, reducing the volume of the ultrafiltration chamber and combining pulsed ultrafiltration with high performance liquid chromatography-atmospheric pressure chemical ionization mass spectromet...

journal_title：Combinatorial chemistry & high throughput screening

authors： Gu C,Nikolic D,Lai J,Xu X,van Breemen RB

更新日期：1999-12-01 00:00:00

abstract：:In the present work, an analytical methodology based on molecularly imprinted solid-phase extraction (MISPE) has been developed for the determination of bisphenol A (BPA) in environmental and food samples. In order to select the optimum material, a combinatorial library of molecularly imprinted polymers in small-scale...

journal_title：Combinatorial chemistry & high throughput screening

authors： Martin-Esteban A,Tadeo JL

更新日期：2006-12-01 00:00:00

abstract：:The section on patent review will be focused in the areas of interest to the readers of CCHTS. The search was conducted using the following key words: combinatorial chemistry, high throughput screening, drug repurposing, chemical library, high content screening, drug discovery and natural products. All patents highlig...

journal_title：Combinatorial chemistry & high throughput screening

authors： Roy A

更新日期：2011-05-01 00:00:00

abstract：BACKGROUND:Topological indices have numerous implementations in chemistry, biology and in lot of other areas. It is a real number associated to a graph, which provides information about its physical and chemical properties and their correlations. For a connected graph H, the degree distance defined as DD(H)=∑_(\{h_1,h_...

journal_title：Combinatorial chemistry & high throughput screening

authors： Imran M,Akhtar S,Ahmad U,Ahmad S,Bilal A

更新日期：2020-12-24 00:00:00

abstract：:Quantitative structure-activity relationships (QSARs) have important applications in drug discovery research, environmental fate modeling, property prediction, etc. Validation has been recognized as a very important step for QSAR model development. As one of the important objectives of QSAR modeling is to predict acti...

journal_title：Combinatorial chemistry & high throughput screening

authors： Roy K,Mitra I

更新日期：2011-07-01 00:00:00

abstract：:A new, efficient, and solvent-free cyclocondensation reaction of arylmethylidenepyruvic acids with 6- aminouracils is presented that uses a catalytic amount of ZnO nanoparticles (ZnO Nps) as a recyclable catalyst at 70 °C. This protocol has the advantages of high yields (91-98%), easy work-up, very short reaction time...

journal_title：Combinatorial chemistry & high throughput screening

authors： Abdolmohammadi S

更新日期：2013-01-01 00:00:00

abstract：AIM AND OBJECTIVE:This study was designed to explore the active compounds and significant pathways of Guizhi-Shaoyao-Zhimu decoction (GSZD) for treating diabetes mellitus using molecular docking combined with network pharmacology. MATERIALS AND METHODS:Chemical constituents of GSZD and diabetes-related target proteins...

journal_title：Combinatorial chemistry & high throughput screening

authors： Zhang Q,Li R,Peng W,Zhang M,Liu J,Wei S,Wang J,Wu C,Gao Y,Pu X

更新日期：2019-01-01 00:00:00

abstract：:Therapeutic options for many infections are extremely limited and at crisis point. We run the risk of entering a second pre-antibiotic era. There had been no miracle drug for the patients infected by resistant microbial pathogens. Most of the very few new drugs under development have problems with their toxicity, or p...

journal_title：Combinatorial chemistry & high throughput screening

authors： Phougat N,Khatri S,Singh A,Dangi M,Kumar M,Dabur R,Chhillar AK

更新日期：2014-01-01 00:00:00

abstract：:Artificial neural networks (ANNs) have been applied for the quantitative structure-activity relationships (QSAR) studies of antibacterial activity against Escherichia coli, Serratia marcescens, Proteus vulgaris, Klebsiella pneumoniae and Pseudomonas aeruginosa of a large series of new imidazole derivatives. Antibacter...

journal_title：Combinatorial chemistry & high throughput screening

authors： Bucinski A,Markuszewski MJ,Wiktorowicz W,Krysinski J,Kaliszan R

更新日期：2004-06-01 00:00:00

abstract：AIM AND OBJECTIVE: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. This study is undertaken to develop an efficient computational approach for timely encoding protein sequences and extracting the hidden...

journal_title：Combinatorial chemistry & high throughput screening

authors： Li C,Zhao J,Wang C,Yao Y

更新日期：2018-01-01 00:00:00

abstract：OBJECTIVE:Lung cancer is the most prevalent cancer in the world, and lung adenocarcinoma is the most common lung cancer subtype. Identification and determination of relevant prognostic markers are the key steps to personalized cancer management. METHODS:We collected the gene expression profiles from 265 tumor tissues ...

journal_title：Combinatorial chemistry & high throughput screening

authors： He ZH,Lv W,Wang LM,Wang YQ,Hu J

更新日期：2019-01-01 00:00:00

abstract：AIM AND OBJECTIVE:Thiazol-2-imine derivatives are interested for their pharmaceutical and biologic activities. A literature survey reveals that there have been no any reports on the synthesis of thiazol-2-imine derivatives without substituents in position C-4 and C-5 via one-pot reaction. Herein we report an efficient ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Nasiri F,Sabahi-Agabager L

更新日期：2017-01-01 00:00:00

abstract：:Fingerprint representations of molecular structure and properties were among the first computational tools for similarity searching and are widely applied to this date, which is in part due to their computational efficiency and ease-of-use. Moreover, despite their simplicity, 2D molecular fingerprints have been surpri...

journal_title：Combinatorial chemistry & high throughput screening

authors： Wang Y,Bajorath J

更新日期：2010-03-01 00:00:00

abstract：:In this paper, we introduce two nonconventional ionic liquid compounds which are composed of propane sulfonate functionalized organic cations and heteropolyanions as green solid acid catalysts for the highly efficient and green synthesis of 2,3-disubstitutedquinoxaline derivatives. These ionic liquids are in the solid...

journal_title：Combinatorial chemistry & high throughput screening

authors： Vahdat SM,Baghery S

更新日期：2013-09-01 00:00:00

abstract：:The high level of attrition of drugs in clinical development has led pharmaceutical companies to increase the efficiency of their lead identification and development through techniques such as combinatorial chemistry and high-throughput (HTP) screening. Since the major reasons for clinical drug candidate failure other...

journal_title：Combinatorial chemistry & high throughput screening

authors： Shearer TW,Smith KS,Diaz D,Asher C,Ramirez J

更新日期：2005-02-01 00:00:00