Virtual Combinatorial Library Design, Synthesis and In vitro Anticancer Assessment of -2-Amino-3-Cyanopyridine Derivatives.

Abstract:

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. RESULTS:The most active compound 2-amino-4-(3,5-dibromo-4-hydroxyphenyl)-6-(2,4- dichlorophenyl) nicotinonitrile (CG-5) showed significant cytotoxic profile with (LC50 = 97.1, TGI = 29.9 and GI50 = <0.1 µM) in MCF-7 and (LC50= 93.0, TGI= 50.0 and GI50= <7 µM) in A-549 cell lines. A molecular docking study was performed to explore the binding interaction of CG-5with the active site of Topoisomerase II. CONCLUSION:It can be concluded that halogen substituent pyridine ring was benefit for cytotoxicity.

authors

Dev S,Dhaneshwar SR,Mathew B

doi

10.2174/1386207321666180228113925

subject

Has Abstract

pub_date

2018-01-01 00:00:00

pages

138-148

issue

2

eissn

1386-2073

issn

1875-5402

pii

CCHTS-EPUB-88854

journal_volume

21

pub_type

杂志文章
  • Topomer CoMFA and virtual screening studies of azaindole class renin inhibitors.

    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

    pub_type: 杂志文章

    doi:10.2174/1386207317666140107094708

    authors: Xiang Y,Song J,Zhang Z

    更新日期:2014-01-01 00:00:00

  • Recent advances in the solid phase synthesis of drug-like heterocyclic small molecules.

    abstract::Phage display is a biological system which facilitates the cloning and rapid selection of peptides from large combinatorial libraries. In compa-rison to the chemical combinatorial approach, the advantages of phage display lie in its simplicity and replicability. While phage display has many diverse applications, this ...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章,评审

    doi:

    authors: Andres CJ,Denhart DJ,Deshpande MS,Gillman KW

    更新日期:1999-08-01 00:00:00

  • Profiling of multiple signal pathway activities by multiplexing antibody and GFP-based translocation assays.

    abstract::Multiplexing of GFP based and immunofluorescence translocation assays enables easy acquisition of multiple readouts from the same cell in a single assay run. Immunofluorescence assays monitor translocation, phosphorylation, and up/down regulation of endogenous proteins. GFP-based assays monitor translocation of stably...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章,评审

    doi:10.2174/138620708785204081

    authors: Henriksen U,Fog J,Loechel F,Praestegaard M

    更新日期:2008-08-01 00:00:00

  • Combination therapy: the propitious rationale for drug development.

    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

    pub_type: 杂志文章,评审

    doi:10.2174/13862073113166660065

    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

  • High throughput screening and structure-activity relationship study of potential α2A-adrenoceptor agonists by LANCETM cAMP assay.

    abstract::G protein-coupled receptors (GPCRs) are signaling molecules with a wide variety of skills. Members of this large family of membrane protein have been shown to regulate the activities of the different signaling pathways of the ligand specific manner. α2-adrenoceptors (α2-ARs) are one of the GPCRs and the stimulation of...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207311316070003

    authors: Yang H,He L,Yan M,He JG,Yu T

    更新日期:2013-06-28 00:00:00

  • Correlative Study of Bone-Related Biochemicals and Endocrine Changes in Perimenopausal Women in Enugu, Nigeria.

    abstract:BACKGROUND AND OBJECTIVE:Perimenopause is a physiological occurrence in women, and is characterized by endocrine and biochemical changes. During perimenopause phase, many derangements or abnormal health conditions start developing as a result of hormonal changes. These derangements in health conditions and biochemical ...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207323666201023120212

    authors: Ikegwuonu CI,Uchendu IK,Maduka CI

    更新日期:2020-10-23 00:00:00

  • Influence of polarity on the scalability and reproducibility of solvent-free microwave-assisted reactions.

    abstract::Organic reactions performed in the absence of solvent in domestic ovens without appropriate temperature control are generally considered as not reproducible, particularly when different instruments are used. For this reason, reproducibility has historically been one of the major issues associated with Microwave-Assist...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620711794474088

    authors: Díaz-Ortiz A,de la Hoz A,Alcázar J,Carrillo JR,Herrero MA,Fontana A,Muñoz Jde M,Prieto P,de Cózar A

    更新日期:2011-02-01 00:00:00

  • Lectin microarrays: a powerful tool for glycan-based biomarker discovery.

    abstract::Cell surfaces, especially mammalian cell surfaces, are heavily coated with complex poly- and oligosaccharides, and these glycans have been implicated in many functions, such as cell-to-cell communication, host-pathogen interactions and cell matrix interactions. Not surprisingly then, the aberrations of glycosylation a...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620711796504398

    authors: Zhou SM,Cheng L,Guo SJ,Zhu H,Tao SC

    更新日期:2011-09-01 00:00:00

  • Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones.

    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

    pub_type: 杂志文章

    doi:10.2174/1386207321666180827105856

    authors: Kawczak P,Bober L,Bączek T

    更新日期:2018-01-01 00:00:00

  • Fast mass spectrometry-based methodologies for pharmaceutical analyses.

    abstract::Historically, most bioanalytical methods for drug analysis in pharmaceutical industry were developed using HPLC coupled with UV or fluorescence detection. However, there is a trend toward interfacing separation technologies with more sensitive tandem mass spectrometry (MS/MS)-based systems. MS/MS detection offers comp...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章,评审

    doi:10.2174/138620706775213895

    authors: Hsieh Y,Fukuda E,Wingate J,Korfmacher WA

    更新日期:2006-01-01 00:00:00

  • PCR/SSCP detects reliably and efficiently DNA sequence variations in large scale screening projects.

    abstract::A simple and fast method with high reliability is necessary for the identification of mutations, polymorphisms and sequence variants (MPSV) within many genes and many samples, e.g. for clarifying the genetic background of individuals with multifactorial diseases. Here we review our experience with the polymerase chain...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207003331607

    authors: Miterski B,Krüger R,Wintermeyer P,Epplen JT

    更新日期:2000-06-01 00:00:00

  • Local histogram analysis: detecting cell-microstructure interactions on combinatorial biomaterial libraries.

    abstract::Increasingly, combinatorial libraries are used to screen large numbers of complex chemically- and physically-patterned polymers against cell response. There is a strong need to extract meaningful relationships between cell function and material surface features from these experiments. A novel high-throughput cell-mate...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620709788681880

    authors: Su J,Meredith JC

    更新日期:2009-07-01 00:00:00

  • Microarray technology as a universal tool for high-throughput analysis of biological systems.

    abstract::Over the last years microarray technology has become one of the principal platform technologies for the high-throughput analysis of biological systems. Starting with the construction of first DNA microarrays in the 1990s, microarray technology has flourished in the last years and many different new formats have been d...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章,评审

    doi:10.2174/138620706777452429

    authors: Sobek J,Bartscherer K,Jacob A,Hoheisel JD,Angenendt P

    更新日期:2006-06-01 00:00:00

  • Inhibition of P-Glycoprotein Mediated Efflux of Paclitaxel by Coumarin Derivatives in Cancer Stem Cells: An In Silico Approach.

    abstract::P-glycoprotein (P-gp) is well known to cause multidrug resistance (MDR) in cancer cells. This MDR leads to cancer recurrence which is a major obstacle in cancer treatment. High P-gp expression has been observed in the population of cancer stem cells (CSCs) having self-renewal potential. Early detection and inhibition ...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 历史文章,杂志文章

    doi:10.2174/1386207319666160517115158

    authors: Tripathi A,Misra K

    更新日期:2016-01-01 00:00:00

  • Exploration of the Potential Mechanism of Calculus Bovis in Treatment of Primary Liver Cancer by Network Pharmacology.

    abstract:AIM AND OBJECTIVE:Calculus Bovis (CB) has been employed to treat diseases for a long time. It has been identified to play significant anti-inflammatory and anti-tumor roles. However, the mechanism of treating primary liver cancer (PLC) remains to be revealed. This study aims to clarify the molecules and mechanisms of C...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207323666200808172051

    authors: Zhang Z,Zeng P,Gao W,Wu R,Deng T,Chen S,Tian X

    更新日期:2021-01-01 00:00:00

  • Oligonucleotide fingerprinting of arrayed genomic DNA sequences using LNA-modified hybridization probes.

    abstract::Recently, we established a robust method for the detection of hybridization events using a DNA microarray deposited on a nanoporous membrane. Here, in a follow-up study, we demonstrate the performance of this approach on a larger set of LNA-modified oligoprobes and genomic DNA sequences. Twenty-six different LNA-modif...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620707780636637

    authors: Liu JP,Drungowski M,Nyársik L,Schwartz R,Lehrach H,Herwig R,Janitz M

    更新日期:2007-05-01 00:00:00

  • Moringa oleifera leaf extract attenuates Pb acetate-induced testicular damage in rats.

    abstract:BACKGROUND:Lead (Pb) remains a common contaminant in the environment in many parts of the world. Pb exposure adversely affects many human organs, including the gonads, via oxidant and inflammatory marker propagation in affected tissues. Moringa oleifera leaf extract (MOE) is a rich source of antioxidants reported to ha...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207323666200923142831

    authors: Albasher G,Alrajhi R,Alshammry E,Almeer R

    更新日期:2020-09-23 00:00:00

  • Lanthanide-doped inorganic nanocrystals as luminescent biolabels.

    abstract::Trivalent lanthanide ions (Ln(3+)) doped inorganic nanocrystals (NCs) have currently attracted reviving interest and come to the forefront in nanophotonics owing to their potential applications in diverse fields such as luminescent biodetection and bioimaging. As an alternative to conventional biolabels, Ln(3+)-doped ...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章,评审

    doi:10.2174/138620712801619177

    authors: Ju Q,Tu D,Liu Y,Zhu H,Chen X

    更新日期:2012-08-01 00:00:00

  • Potential of MurA Enzyme and GBAP in Fsr Quorum Sensing System as Antibacterial Drugs Target: In vitro and In silico Study of Antibacterial Compounds from Myrmecodia pendans.

    abstract:BACKGROUND:Increasing the resistance issue has become the reason for the development of new antibacterial in crucial condition. Many ways are tracked to determine the most effective antibacterial agent. Some proteins that are a key role in bacteria metabolism are targeted, including MurA in cell wall biosynthesis and g...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207323666200628111348

    authors: Apriyanti E,Satari MH,Kurnia D

    更新日期:2021-01-01 00:00:00

  • Efficient One-Pot Synthesis of Thiazol-2-imine Derivatives through Regioselective Reaction Between Primary Amines, Phenylisothiocyanate, and α-Chloroacetaldehyde.

    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

    pub_type: 杂志文章

    doi:10.2174/1568009617666161107093942

    authors: Nasiri F,Sabahi-Agabager L

    更新日期:2017-01-01 00:00:00

  • A convenient synthesis of 2-imino-1,3-thiazine-4-one derivatives from the reaction of primary amines and phenyl isothiocyanate in the presence of acryloyl chloride.

    abstract::An efficient, one-pot and three-component synthesis of biologically important heterocyclic compounds is described from the reaction of primary amines and phenyl isothiocyanate in the presence of acryloyl chloride at room temperature without the need to use any catalyst. ...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207317666140313110334

    authors: Zolali A,Nasiri F,Omid-Niakan S

    更新日期:2014-01-01 00:00:00

  • New Research for Quinazoline-2,4-diones as HPPD Inhibitors Based on 2D-MLR and 3D-QSAR Models.

    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

    pub_type: 杂志文章

    doi:10.2174/1386207320666170622073738

    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

  • A simple method for analyzing actives in random RNAi screens: introducing the "H Score" for hit nomination & gene prioritization.

    abstract::Due to the numerous challenges in hit identification from random RNAi screening, we have examined current practices with a discovery of a variety of methodologies employed and published in many reports; majority of them, unfortunately, do not address the minimum associated criteria for hit nomination, as this could po...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620712803519671

    authors: Bhinder B,Djaballah H

    更新日期:2012-11-01 00:00:00

  • Gene expression analysis for high throughput screening applications.

    abstract::To meet growing needs for high throughput gene expression profiling, we established a new automated high throughput TaqMan RT-PCR method for quantitative mRNA expression analysis. In this method, the Allegro( trade mark ) (Zymark) system conducts all sample tracking and liquid handling steps, and ABI PRISM 7900 HT (Ap...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620704773120810

    authors: Pinhasov A,Mei J,Amaratunga D,Amato FA,Lu H,Kauffman J,Xin H,Brenneman DE,Johnson DL,Andrade-Gordon P,Ilyin SE

    更新日期:2004-03-01 00:00:00

  • Structure-based modeling of dye-fiber affinity with SOM-4D-QSAR paradigm: application to set of anthraquinone derivatives.

    abstract::A comparative structure-affinity study of anthraquinone dyes adsorption on cellulose fibre is presented in this paper. We used receptor-dependent 4D-QSAR methods based on grid and neural (SOM) methodology coupled with IVEPLS procedure. The applied RD 4D-QSAR approach focuses mainly on the ability of mapping dye proper...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207317666140205195252

    authors: Bak A,Wyszomirski M,Magdziarz T,Smolinski A,Polanski J

    更新日期:2014-01-01 00:00:00

  • Plasma-Free Amino Acid Profiling of Nasal Polyposis Patients.

    abstract:AIM AND OBJECTIVE:To determine the mechanisms present in the etiopathogenesis of nasal polyposis. It is not clear whether amino acids contribute in a causal way to the development of the disease. Therefore, the aim of this study was to determine the plasma-free amino acid profile in patients with nasal polyposis and to...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207322666190920110324

    authors: Celik M,Şen A,Koyuncu İ,Gönel A

    更新日期:2019-01-01 00:00:00

  • Prerequisites for peptidomic analysis of blood samples: II. Analysis of human plasma after oral glucose challenge -- a proof of concept.

    abstract::Mass spectrometric plasma analysis for biomarker discovery has become an exploratory focus in proteomic research: the challenges of analyzing plasma samples by mass spectrometry have become apparent not only since the human proteome organization (HUPO) has put much emphasis on the human plasma proteome. This work demo...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620705774962427

    authors: Tammen H,Hess R,Schulte I,Kellmann M,Appel A,Budde P,Zucht HD,Schulz-Knappe P

    更新日期:2005-12-01 00:00:00

  • Analytical characterization of label-free immunosensor subsystems based on multi-walled carbon nanotube array-modified gold interface.

    abstract::In the present work, we report characterization studies of antigen(Ag)-antibody (Ab) interaction based on the multi-walled carbon nanotube array-modified gold electrode for label-free electrochemical immunosensor. -COOH functionalization of MWCNT was suggested by FTIR spectroscopy. Images from atomic force microscopy ...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207318666141212165513

    authors: Zahmatkeshan M,Ilkhani H,Paknejad M,Adel M,Sarkar S,Saber R

    更新日期:2015-01-01 00:00:00

  • UCLA's Molecular Screening Shared Resource: enhancing small molecule discovery with functional genomics and new technology.

    abstract::The Molecular Screening Shared Resource (MSSR) offers a comprehensive range of leading-edge high throughput screening (HTS) services including drug discovery, chemical and functional genomics, and novel methods for nano and environmental toxicology. The MSSR is an open access environment with investigators from UCLA a...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/1386207317666140323134621

    authors: Damoiseaux R

    更新日期:2014-05-01 00:00:00

  • A method for rapid protease substrate evaluation and optimization.

    abstract::We have developed a high throughput assay for the measurement of protease activity in solution. This technology will accelerate research in functional proteomics and enable biologists to streamline protease substrate evaluation and optimization. The peptide sequences that serve as protease substrates in this assay are...

    journal_title:Combinatorial chemistry & high throughput screening

    pub_type: 杂志文章

    doi:10.2174/138620706777698535

    authors: Kozlov IA,Melnyk PC,Zhao C,Hachmann JP,Shevchenko V,Srinivasan A,Barker DL,Lebl M

    更新日期:2006-07-01 00:00:00