Artificial Neural Network Methods Applied to Drug Discovery for Neglected Diseases.

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：:In recent years, a trend of change has been observed within pharmaceutical industry. As modern drug discovery has reached a remarkable level of complexity and drugs need to be discovered, developed and produced against strict timelines and within cost- and regulatory constraints, industry seeks "lean" solutions to inc...

journal_title：Combinatorial chemistry & high throughput screening

authors： Pieters S,Dejaegher B,Vander Heyden Y

更新日期：2010-07-01 00:00:00

abstract：:African trypanosomes are the causative agent of sleeping sickness. The therapeutics used to control and treat the disease are very ineffective and thus, the development of improved drugs is urgently needed. Recently, new strategies for the design of novel trypanocidals have been put forward. Among them are techniques ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Adler A,Forster N,Homann M,Göringer HU

更新日期：2008-01-01 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：:Polo-like kinase 1 (Plk1) is a decisive enzyme with its multifunctional activity in cell cycle progression especially mitosis. The over expression of Plk1 in broad spectrum of cancer types turns into a promising therapeutic target against cancer. In the present study, several ligand based pharmacophore models and atom...

journal_title：Combinatorial chemistry & high throughput screening

authors： Chekkara R,Gorla VR,Susithra E,Tenkayala SR

更新日期：2014-01-01 00:00:00

abstract：:Combinatorial phage peptide libraries have been used to identify the ligands for specific target molecules. These libraries are also useful for identification of the specific substrates of various proteases. A substrate phage library has a random peptide sequence at the N-terminus of the phage coat protein and an addi...

journal_title：Combinatorial chemistry & high throughput screening

authors： Ohkubo S,Miyadera K,Sugimoto Y,Matsuo K,Wierzba K,Yamada Y

更新日期：2001-11-01 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：:The appropriate selection of initial receptor structure has been the 'cornerstone' or foundation of successful structure-based virtual screening (SBVS), and plagued the structure-based design with a significantly practical problem to determine the major physiological states or important transition states of receptors ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Zhao Y,Wang H,Zang Y,Zhu X,Zhang S,Zhang L

更新日期：2020-11-10 00:00:00

abstract：AIM AND OBJECTIVE:The present method is simple, green and highly efficient for the synthesis of 2-amino-4H-pyran derivatives which are achieved by a one pot three component cyclocondensation of aldehyde, malanonitrile and ethyl acetoacetate or methyl acetoacetate using DABCO under solvent free with grinding conditions ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Waghmare AS,Pandit SS,Suryawanshi DM

更新日期：2018-01-01 00:00:00

abstract：:Structural genomics, structure-based analysis of gene products, has so far mainly concentrated on soluble proteins because of their less demanding requirements for overexpression, purification and crystallisation compared to membrane proteins. This so-called "low-hanging fruit" approach has generated more than 25,000 ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Lundstrom K

更新日期：2004-08-01 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：:A new and simple high-performance liquid chromatography method was developed and validated for the simultaneous determination of retinol, retinyl palmitate, β-carotene, α-tocopherol and vitamin C in rat serum treated with Plantago Major L. and 7,12 dimethylbenz[a]anthracene. High-performance liquid chromatography anal...

journal_title：Combinatorial chemistry & high throughput screening

authors： Levent A,Oto G,Ekin S,Berber I

更新日期：2013-02-01 00:00:00

abstract：:In recent years, combinatorial libraries have become a major tool for drug discovery and drug development. Along the way, one potential use of combinatorial chemistry libraries almost been neglected: the basic study of intermolecular interactions. Especially "one-bead-one-structure" libraries can be a powerful means f...

journal_title：Combinatorial chemistry & high throughput screening

authors： Nestler HP,Liu R

更新日期：1998-10-01 00:00:00

abstract：:Two tryptophan-modified permethylated beta-cyclodextrins, 6I-L-Trp-6I-deoxy-2I,3I-di-O-methyl-hexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl-beta-cyclodextrin (3) and 6I-D-Trp- 6I-deoxy-2I,3I-di-O-methyl-hexakis(2II-VII,3II-VII,6II-VII-tri-O-methyl)-beta-cyclodextrin (4), were synthesized, and their binding behaviors we...

journal_title：Combinatorial chemistry & high throughput screening

authors： Liu Y,Kang S,Chen Y,Shi J,Ke CF

更新日期：2007-07-01 00:00:00

abstract：AIM AND OBJECTIVE:Specific inhibitors of monoamine oxidase (MAO)-B are considered useful therapeutic agents in targeting neurological disorders like Alzheimer's and Parkinson's diseases. Due to the academic challenge of designing new hMAO-B inhibitors and the possibility of discovering compounds with improved propertie...

journal_title：Combinatorial chemistry & high throughput screening

authors： Mathew B,Mathew GE,Petzer JP,Petzer A

更新日期：2017-01-01 00:00:00

abstract：:Human activities have introduced tens of thousands of chemicals into water systems around the world which has significantly impacted water quality and aquatic ecosystems. The aim of this study was to develop an in silico QSAR model, capable of predicting the aquatic toxicity of pesticides in terms of a lethal dose (LD...

journal_title：Combinatorial chemistry & high throughput screening

authors： Agatonovic-Kustrin S,Morton DW,Razic S

更新日期：2014-01-01 00:00:00

abstract：:Both a development of resistance to artemisinin monotherapy and lack of effective vaccine against malaria have created the urgent need for the development of new and efficient antimalarial agents. In this background, we have developed here a linear discriminant analysis (LDA) model and a few 3D-pharmacophore models fo...

journal_title：Combinatorial chemistry & high throughput screening

authors： Aher RB,Roy K

更新日期：2014-01-01 00:00:00

abstract：OBJECTIVE:The aim of this study areto screen MicroRNAs (miRNAs) related to the prognosis of lung adenocarcinoma (LUAD) and to explore the possible molecular mechanisms. METHODS:The data for a total of 535 patients with LUAD data were downloaded from The Cancer Genome Atlas (TCGA) database. The miRNAs for LUAD prognosi...

journal_title：Combinatorial chemistry & high throughput screening

authors： Wang W,Liu B,Duan X,Feng X,Wang T,Wang P,Ding M,Zhang Q,Feng F,Wu Y,Yao W,Wang Q,Yang Y

更新日期：2020-01-01 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：:Among the various parasitic diseases, malaria is the deadliest one. Due to the emergence of high drug resistance to the existing drug candidates there is a global need for development of new drug candidates which will be effective against resistant strains of malaria parasite. In silico molecular modeling approaches h...

journal_title：Combinatorial chemistry & high throughput screening

authors： Barmade MA,Murumkar PR,Sharma MK,Shingala KP,Giridhar RR,Yadav MR

更新日期：2015-01-01 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：:A convenient one-pot, three-component reaction of aromatic aldehydes, 6-amino-1,3-dimethyluracil and active methylene compounds in the presence of Zr(HSO4)4 as a heterogeneous catalyst, under solvent-free conditions brings a very simple and highly efficient method for the preparation of pyrimido[4,5-b]quinolines, pyri...

journal_title：Combinatorial chemistry & high throughput screening

authors： Abdolmohammadi S,Balalaie S,Barari M,Rominger F

更新日期：2013-02-01 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：:Embryonic stem cells, due to their self-renewal and pluripotency properties, can be used to repair damaged tissues and as an unlimited source of differentiated cells. Although stem cells represent an important opportunity for cell based therapy and small molecules screening (in the context of drug or target discovery)...

journal_title：Combinatorial chemistry & high throughput screening

authors： Jee J,Jeon H,Hwang D,Sommer P,Park Z,Cechetto J,Dorval T

更新日期：2012-09-01 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：: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

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

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

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

更新日期：2019-01-01 00:00:00

abstract：:Chemical inhibitors have had a profound impact on many diverse fields of biology. The goal of chemical genetics is to use small molecules to perturb biological systems in a manner conceptually similar to traditional genetics. Key to the advancement of the chemical genetic paradigm is the further development of tools a...

journal_title：Combinatorial chemistry & high throughput screening

authors： Tochtrop GP,King RW

更新日期：2004-11-01 00:00:00

abstract：:This review describes computational procedures for deriving the amino acid sequences that are compatible with a given protein backbone structure. Such procedures can be used to gain insight into the constraints imposed by the 3D structure of the protein sequence, or to design proteins that are likely to adopt a given ...

journal_title：Combinatorial chemistry & high throughput screening

authors： Jaramillo A,Wernisch L,Hery S,Wodak SJ

更新日期：2001-12-01 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