Ligand Based-Pharmacophore Modeling and Extended Bi oactivity Prediction for Salinosporamide A, B and C from Marine Actino mycetes Salinispora tropica.

abstract：:The article describes the development of a robust pharmacophore model and the investigation of structure activity relationship analysis of 46 xanthine derivatives reported for DPP-IV inhibition using PHASE module of Schrodinger software. The present works also encompasses molecular interaction of 46 xanthine ligand th...

journal_title：Combinatorial chemistry & high throughput screening

authors： Agrawal R,Jain P,Dikshit SN,Bahare RS

更新日期：2013-05-01 00:00:00

abstract：:Gelatinase B/MMP-9 fulfills crucial regulator or effector functions in disease states and may be pharmacologically targeted by specific inhibitors. The characteristics of cleavages of a natural gelatinase B substrate were simulated and amino acids with zinc-ion chelating side-groups were employed to design a library o...

journal_title：Combinatorial chemistry & high throughput screening

authors： Hu J,Dubois V,Chaltin P,Fiten P,Dillen C,Van den Steen PE,Opdenakker G

更新日期：2006-09-01 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：:EGFR (ErbB-1/HER1) kinase plays an important role in cancer therapy. Two classification models were established to predict whether a compound is an inhibitor or a decoy of human EGFR (ErbR-1) by using Kohonen's self-organizing map (SOM) and support vector machine (SVM). A dataset containing 1248 ATP binding site inhib...

journal_title：Combinatorial chemistry & high throughput screening

authors： Kong Y,Qu D,Chen X,Gong YN,Yan A

更新日期：2016-01-01 00:00:00

abstract：:Screening of phage display libraries allows rapid identification of peptides binding to a target. However, functional analysis of the phage sequences and their reproduction as soluble and stable peptides are often the most time-consuming part in the screening. We have used here intein-based peptide biosynthesis to pro...

journal_title：Combinatorial chemistry & high throughput screening

authors： Björklund M,Valtanen H,Savilahti H,Koivunen E

更新日期：2003-02-01 00:00:00

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

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

更新日期：2006-06-01 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：:The Emory Chemical Biology Discovery Center (ECBDC) aims to accelerate high throughput biology and translation of biomedical research discoveries into therapeutic targets and future medicines by providing high throughput research platforms to scientific collaborators worldwide. ECBDC research is focused at the interfa...

journal_title：Combinatorial chemistry & high throughput screening

authors： Johns MA,Meyerkord-Belton CL,Du Y,Fu H

更新日期：2014-03-01 00:00:00

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

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

更新日期：2000-06-01 00:00:00

abstract：:Widely diverse biological queries are now routinely analyzed on the various optical platforms: laser line scanners, nonconfocal imagers and confocal imagers. These analyses may be performed to query a limited number of samples or range to include the evaluation of a million samples as is the goal of many screening dep...

journal_title：Combinatorial chemistry & high throughput screening

authors： Shumate C,Hoffman AF

更新日期：2009-11-01 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：: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：: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：BACKGROUND:ADAMTS (A disintegrin-like metalloproteinase with thrombospondin motifs) is a group of 19 zinc-dependent metalloproteases known to function in many pathological and physiological processes, such as adhesion, cell fusion, signaling, proteolysis and ECM degradation. OBJECTIVES:The aim of this study was to dem...

journal_title：Combinatorial chemistry & high throughput screening

authors： Tayman MA,Koyuncu İ,Köklü NÖ

更新日期：2020-01-01 00:00:00

abstract：:An efficient synthesis of 1,3-oxathiolan-2-yliden derivatives is described via a simple reactions between CHacids, CS2 and oxiranes in the presence of triethylamine at 70° C in water as the solvent. The mild reaction conditions and high yields of the products exhibit the good synthetic advantage of this method. ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Rostami-Charati F,Hosseini-Tabatabaei MR,Shahraki M

更新日期：2014-01-01 00:00:00

abstract：BACKGROUND:Neurofibromatosis, also known as Von Recklinghausen disease, is a systemic and progressive genetic disease that primarily affects the skin, eyes, nervous system and bones. The disease can occur in a variety of ways and can vary from individuals. Metabolomic-based research using blood samples has enabled new ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Oz O,Koyuncu I,Gonel A

更新日期：2020-12-04 00:00:00

abstract：AIM AND OBJECTIVE:The Dendrobium officinalis flower (DOF) is popular in China due to common belief in its anti-aging properties and positive effects on "nourish yin". However, there have been relatively few confirmatory pharmacological experiments conducted to date. The aim of this work was to evaluate whether DOF has ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Li LZ,Lei SS,Li B,Zhou FC,Chen YH,Su J,Lv GY,Chen SH

更新日期：2020-01-01 00:00:00

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

authors： Ju Q,Tu D,Liu Y,Zhu H,Chen X

更新日期：2012-08-01 00:00:00

abstract：BACKGROUND:Panax notoginseng, a Chinese herbal medicine, has been widely used to treat vascular diseases. Diabetic retinopathy (DR) is one of the complications of diabetic microangiopathy. According to recent studies, the application of Panax notoginseng extract and related Chinese patent medicine preparations can sign...

journal_title：Combinatorial chemistry & high throughput screening

authors： Piao C,Sun Z,Jin,Wang H,Wu X,Zhang N,Lian F,Tong X

更新日期：2020-01-01 00:00:00

abstract：AIM AND OBJECTIVE:In this work, we synthesized and characterized a novel Brönsted acidic ionic liquid from the reaction of N, N, N', N'-tetramethylethylenediamine with chlorosulfonic acid and explored its catalytic activity in 1, 8-dioxo-octahydroxanthenes synthesis. MATERIALS AND METHODS:Dimedone, aryl aldehydes, and...

journal_title：Combinatorial chemistry & high throughput screening

authors： Piralghar ZA,Hashemi MM,Ezabadi A

更新日期：2018-01-01 00:00:00

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

authors： Ikegwuonu CI,Uchendu IK,Maduka CI

更新日期：2020-10-23 00:00:00

abstract：:NMR has proven to be a valuable tool for identifying small molecule drug leads that serve as starting points for lead optimization programs. In addition, NMR screening can also be applied during lead optimization in order to improve the pharmacokinetic properties of a compound. In this paper we review the NMR methods ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Huth JR,Sun C

更新日期：2002-12-01 00:00:00

abstract：:Formazan-based colorimetric cytotoxicity assays, such as the MTT assay, are typically used to assess cell viability with only metabolically active cells reducing tetrazolium salts into the formazans, which is then quantified by absorbance. Fluorescence offers several advantages compared to colorimetric assays and woul...

journal_title：Combinatorial chemistry & high throughput screening

authors： Ladyman MK,Walton JG,Lilienkampf A,Bradley M

更新日期：2016-01-01 00:00:00

abstract：:A method for producing tri- and tetrasubstituted ureas from carbamoyl imidazolium salts is presented. Carbamoyl imidazolium salts are prepared from the reaction of N,N carbonyldiimidazole (CDI) with secondary amines, followed by alkylation with iodomethane. These stable salts can be stored for extended periods and ar...

journal_title：Combinatorial chemistry & high throughput screening

authors： Batey RA,Shen M,Santhakumar V,Yoshina-Ishii C

更新日期：2002-05-01 00:00:00

abstract：:The National Institute of Mental Health (NIMH) Psychoactive Drug Screening Program (PDSP) is a resource that provides free screening of novel compounds to academic investigators. This program differs from other public-sector screening programs in that compounds are screened against a large panel of transmembrane recep...

journal_title：Combinatorial chemistry & high throughput screening

authors： Jensen NH,Roth BL

更新日期：2008-07-01 00:00:00

abstract：:The identification of clones expressing high levels of recombinant protein in Pichia pastoris is usually dependant upon SDS-PAGE, Western blotting, or bioactivity-based assays that are labour and time-consuming. We describe a rapid method that images green fluorescence protein (GFP) of individual P. pastoris clones tr...

journal_title：Combinatorial chemistry & high throughput screening

authors： Al-Samarrai TH,Kirk CA,Jones WT,Harvey D,Templeton MD

更新日期：2010-06-01 00:00:00

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

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

更新日期：2014-01-01 00:00:00

abstract：:A three-component 3+2 cycloaddition reaction followed by Suzuki coupling reaction was carried out to synthesize a library of compounds using automation (parallel synthesizer). Scaffolds that are unexplored in literature were used for the synthesis of library. The iodo-triazoles formed by 3+2 cycloaddition reaction wer...

journal_title：Combinatorial chemistry & high throughput screening

authors： Kavitha M,Mahipal B,Mainkar PS,Chandrasekhar S

更新日期：2013-09-01 00:00:00

abstract：AIMS AND OBJECTIVES:Secondary metabolism in marine organisms produces a diversity of biologically important natural compounds that are not present in terrestrial species. Sea cucumbers belong to the invertebrate Echinodermata and are famous for their nutraceutical, medical and food values. They are known for possession...

journal_title：Combinatorial chemistry & high throughput screening

authors： Khattab RA,Elbandy M,Lawrence A,Paget T,Rae-Rho J,Binnaser YS,Ali I

更新日期：2018-01-01 00:00:00

abstract：:The evaluation of the relationships between the hormones involved in the urogenital tract cancer, including bladder, kidney, prostate, and testis, could prove important from diagnostic point of view. The determination of the steroid hormone profiles may likely provide a biomarker for discrimination of hormone-related ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Konieczna L,Belka M,Baczek T,Ruszkowski M,Struck W,Markuszewski M,Kaliszan R,Markuszewski M

更新日期：2013-07-01 00:00:00