当前位置： SCI文献检索 > COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING期刊下所有文献 > On Extremal Graphs of Degree Distance Index by Using Edge-Grafting Transformations Method.

On Extremal Graphs of Degree Distance Index by Using Edge-Grafting Transformations Method.

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_2}⊆V(H))〖(〖deg〗_H (h_1 )+〖deg〗_H (h_2 )) d_H (h_1,h_2 ) 〗, where 〖deg〗_H (h_1 ) is the degree of vertex h_1and d_H (h_1,h_2 ) is the distance between h_1and h_2in the graph H. AIM AND OBJECTIVE:In this article, we characterize some extremal trees with respect to degree distance index which has a lot of applications in theoretical and computational chemistry. MATERIALS AND METHODS:A novel method of edge-grafting transformations is used. We discuss the behavior of DD index under four edge-grafting transformations. RESULTS:By the help of those transformations, we derive some extremal trees under certain parameters including pendant vertices, diameter, matching and domination numbers. Some extremal trees for this graph invariant are also characterized. CONCLUSION:It is shown that balanced spider approaches to the smallest DD index among trees having given fixed leaves. The tree Cn,d has the smallest DD index, among the all trees of diameter d. It is also proved that the matching number and domination numbers are equal for trees having minimum DD index.

journal_name

Comb Chem High Throughput Screen

journal_title

Combinatorial chemistry & high throughput screening

authors

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

doi

10.2174/1386207323666201224123643

subject

Has Abstract

pub_date

2020-12-24 00:00:00

eissn

1386-2073

issn

1875-5402

pii

CCHTS-EPUB-112686

pub_type

杂志文章

相关文献

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING文献大全
  • Utility of NMR in lead optimization: fragment-based approaches.

    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

    pub_type： 杂志文章,评审

    doi：10.2174/1386207023329941

    authors： Huth JR,Sun C

    更新日期：2002-12-01 00:00:00

  • Partial order theory applied to QSPR-QSAR studies.

    abstract：:There exists a great amount of information on ranking methods provided in the literature, a new appealing methodology that is generally dealt in a so mathematical fashion. Ranking strategies are applied in a wide range of scientific fields, such as Decision Support, Toxicology, Environmental Research, Analytical Chemi...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章,评审

    doi：10.2174/138620708786734316

    authors： Duchowicz PR,Castr EA

    更新日期：2008-12-01 00:00:00

  • Discovery of Potent SARS-CoV-2 Inhibitors from Approved Antiviral Drugs via Docking Screening.

    abstract：BACKGROUND:Corona Virus Disease 2019 (COVID-19) pandemic threatens patients, societies and healthcare systems around the world. There is an emergent need to search for possible medications. OBJECTIVE:This article intends to use virtual screening and molecular docking methods to find potential inhibitors that can respo...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207323999200730205447

    authors： Chtita S,Belhassan A,Aouidate A,Belaidi S,Bouachrine M,Lakhlifi T

    更新日期：2020-07-30 00:00:00

  • Metalloproteinase inhibitors for the disintegrin-like metalloproteinases ADAM10 and ADAM17 that differentially block constitutive and phorbol ester-inducible shedding of cell surface molecules.

    abstract：:The transmembrane metzinkin-proteases of the ADAM (a disintegrin and a metalloproteinase)-family ADAM10 and ADAM 17 are both implicated in the ectodomain shedding of various cell surface molecules including the IL6-receptor and the transmembrane chemokines CX3CL1 and CXCL16. These molecules are constitutively released...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章,评审

    doi：10.2174/1386207053258488

    authors： Ludwig A,Hundhausen C,Lambert MH,Broadway N,Andrews RC,Bickett DM,Leesnitzer MA,Becherer JD

    更新日期：2005-03-01 00:00:00

  • Validation of an UPLC-DAD method for the quantification of phenolic acids, verbascoside and 6-epi-aububin in Crescentia cujete fruit.

    abstract：BACKGROUND:The fruit pulp decoction of Crescentia cujete, commonly known as calabash, is traditionally used for the treatment of several respiratory diseases and is available as syrup formulations. Unfortunately, there is no detailed investigation on analytical methods for warranting the quality of these products. AIM...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207323666201207114302

    authors： Rivera-Mondragón A,Caballero-George C,Pieters L,Foubert K

    更新日期：2020-12-06 00:00:00

  • Identification of Three Differentially Expressed miRNAs as Potential Biomarkers for Lung Adenocarcinoma Prognosis.

    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

    pub_type： 杂志文章

    doi：10.2174/1386207323666200124123103

    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

  • Normalization of cDNA microarray data using wavelet regressions.

    abstract：:Normalization is an essential step in microarray data mining and analysis. For cDNA microarray data, the primary purpose of normalization is removing the intensity-dependent bias across different slides within an experimental group or between multiple groups. The locally weighted regression (lowess) procedure has been...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207043328274

    authors： Wang J,Ma JZ,Li MD

    更新日期：2004-12-01 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

  • Scaffold hopping for identification of novel PKCβII inhibitors based on ligand and structural approaches, virtual screening and molecular dynamics study.

    abstract：:Protein Kinase C βII (PKCβII) overexpression has been linked to various diabetic microvascular complications viz. retinopathy, neuropathy, and cardiomyopathy. Novel and potent small molecules with preferential selective inhibitory property of PKCβII will be helpful in treatment as well as understanding insight of PKCβ...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207311301010008

    authors： Grewal BK,Sobhia ME

    更新日期：2014-01-01 00:00:00

  • Evaluation of drug transporter interactions in drug discovery and development.

    abstract：:Drug transporters play an important role in the absorption, distribution, excretion and toxicity of both endogenous and exogenous compounds. Transporters may act as physiological 'gatekeepers' in the regulation of the pharmacological and/or toxicological effects of drugs by limiting distribution to tissues responsible...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章,评审

    doi：10.2174/138620710790596772

    authors： Lai Y,Sampson KE,Stevens JC

    更新日期：2010-02-01 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

  • Network Pharmacology-based Investigation of the Underlying Mechanism of Panax notoginseng Treatment of Diabetic Retinopathy.

    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

    pub_type： 杂志文章

    doi：10.2174/1386207323666200305093709

    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

  • Emerging analytical separation techniques with high throughput potential for pharmaceutical analysis, part I: Stationary phase and instrumental developments in LC.

    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

    pub_type： 杂志文章,评审

    doi：10.2174/138620710791515897

    authors： Pieters S,Dejaegher B,Vander Heyden Y

    更新日期：2010-07-01 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

  • A Convenient Method for the Synthesis of Chromeno[4,3-b]pyridines Via Three-component Reaction.

    abstract：AIM AND OBJECTIVE:The importance of Chromeno[4,3-b]pyridines in bioactive compounds, highlighted the ongoing research on developing novel methods for the construction of this heterocyclic scaffold. Regarding the advantageous features of multi-component reactions in organic synthesis, we will try to synthesize pyridocou...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207321666180524110635

    authors： Nikookar H,Moghimi S,Sayahi MH,Mahdavi M,Ranjbar PR,Firoozpour L,Foroumadi A

    更新日期：2018-01-01 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

  • Systematic evaluation of the mechanisms of Mulberry leaf (Morus alba Linne) acting on diabetes based on network pharmacology and molecular docking.

    abstract：BACKGROUND:Diabetes mellitus is one of the most common endocrine metabolic disorder diseases. The application of herbal medicine to control glucose levels and improve insulin action might be a useful approach in the treatment of diabetes. Mulberry leaves (ML) has been reported to exert important activities of anti-diab...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207323666200914103719

    authors： Wu Q,Hu Y

    更新日期：2020-09-13 00:00:00

  • Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach.

    abstract：BACKGROUND:Camptothecin is a quinoline alkaloid, isolated from the Chinese tree Camptotheca acuminate which exhibits its cytotoxic activity by the inhibition of nuclear enzyme Topoisomerase I (topo I). Camptothecin and its analogues forms a covalent bond with DNA which can arrest the tumor growth by slowing the religat...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207319666160810154346

    authors： Dev S,Dhaneshwar SR,Mathew B

    更新日期：2016-01-01 00:00:00

  • Classification SAR modeling of diverse quinolone compounds for antimalarial potency against Plasmodium falciparum.

    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

    pub_type： 杂志文章

    doi：10.2174/1386207316666131230093802

    authors： Aher RB,Roy K

    更新日期：2014-01-01 00:00:00

  • New Ca2+ fluoroionophores based on the BODIPY fluorophore.

    abstract：:Calcium (Ca(2+)) fluoroionophores are useful in cell-based functional assays of G-protein coupled receptor (GPCR) activation or ion channel modulation. In this paper we describe new calcium probes that improve or overcome certain deficiencies in existing probes. These new fluoroionophores are based on acylation of ami...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/138620703106298455

    authors： Gee KR,Rukavishnikov A,Rothe A

    更新日期：2003-06-01 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

  • Purine and sugar chemistry on solid phase--100 years after the Emil Fischer's Chemistry Nobel Prize 1902.

    abstract：:The Nobel Prize in Chemistry 1902 was given to Hermann Emil Fischer "in recognition of the extraordinary services he had rendered by his work on sugar and purine synthesis". This truly great chemist of all time named a group of bicyclic nitrogenous structures as purines, discovered the synthesis of glucose, fructose a...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章,评审

    doi：10.2174/138620703106298617

    authors： Franzén R,Tois J

    更新日期：2003-08-01 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

  • Resisting the Resistance in Cancer: Cheminformatics Studies on Short- Path Base Excision Repair Pathway Antagonists Using Supervised Learning Approaches.

    abstract：:Survival of cells and maintenance of genome depend on detection and repair of damaged DNA through intricate mechanisms. Cancer treatment relies on chemotherapy or radiation therapy that kills neoplastic cells by causing immense damage to the DNA. In many cases, escalated DNA repair mechanism leads to resistance agains...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207318666150626093648

    authors： Jain R,Jamal S,Goyal S,Wahi D,Singh A,Grover A

    更新日期：2015-01-01 00:00:00

  • Artificial neural networks for prediction of antibacterial activity in series of imidazole derivatives.

    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

    pub_type： 杂志文章

    doi：10.2174/1386207043328652

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

    更新日期：2004-06-01 00:00:00

  • Advanced assessment of the endogenous hormone level as a potential biomarker of the urogenital tract cancer.

    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

    pub_type： 杂志文章

    doi：10.2174/1386207311316060007

    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

  • Investigation of electrochemical behavior of lipid lowering agent atorvastatin calcium in aqueous media and its determination from pharmaceutical dosage forms and biological fluids using boron-doped diamond and glassy carbon electrodes.

    abstract：:The electrochemical behavior of atorvastatin calcium at glassy carbon and boron-doped diamond electrodes has been studied using voltammetric techniques. The possible mechanism of oxidation was discussed with model compounds. The dependence of the peak current and potentials on pH, concentration, scan rate and nature o...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/138620707782152407

    authors： Dogan-Topal B,Uslu B,Ozkan SA

    更新日期：2007-08-01 00:00:00

  • Hadoop-MCC: Efficient Multiple Compound Comparison Algorithm Using Hadoop.

    abstract：AIM AND OBJECTIVE:In the past decade, the drug design technologies have been improved enormously. The computer-aided drug design (CADD) has played an important role in analysis and prediction in drug development, which makes the procedure more economical and efficient. However, computation with big data, such as ZINC c...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/1386207321666180102120641

    authors： Hua GJ,Hung CL,Tang CY

    更新日期：2018-01-01 00:00:00

  • Phenotypic screening of small molecule libraries by high throughput cell imaging.

    abstract：:We have developed high throughput fluorescence cell imaging methods to screen chemical libraries for compounds with effects on diverse aspects of cell physiology. We describe screens for compounds that arrest cells in mitosis, that block cell migration, and that block the secretory pathway. Each of these screens yield...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/138620703106298527

    authors： Yarrow JC,Feng Y,Perlman ZE,Kirchhausen T,Mitchison TJ

    更新日期：2003-06-01 00:00:00

  • Simultaneous determination of LogD, LogP, and pK(a) of drugs by using a reverse phase HPLC coupled with a 96-well plate auto injector.

    abstract：:For years, the physicochemical properties of drug candidates have been used to predict their in vivo pharmacokinetic behaviors. Several theories and empirical correlations have been established by various researchers with the overall goal of expediting the drug candidate selection process, with greater confidence and ...

    journal_title：Combinatorial chemistry & high throughput screening

    pub_type： 杂志文章

    doi：10.2174/138620709787581693

    authors： Chiang PC,Hu Y

    更新日期：2009-03-01 00:00:00