Current topics in medicinal chemistry Journal Impact Factor & Information

Publisher: Bentham Science Publishers

Journal description

Current impact factor: 3.45

Impact Factor Rankings

2015 Impact Factor Available summer 2015
2013 / 2014 Impact Factor 3.453
2012 Impact Factor 3.702
2011 Impact Factor 4.174
2010 Impact Factor 4.112
2009 Impact Factor 4.473
2008 Impact Factor 4.268
2007 Impact Factor 4.325
2006 Impact Factor 4.167
2005 Impact Factor 4.4

Impact factor over time

Impact factor
Year

Additional details

5-year impact 4.32
Cited half-life 4.10
Immediacy index 0.27
Eigenfactor 0.02
Article influence 1.27
ISSN 1873-4294

Publisher details

Bentham Science Publishers

  • Pre-print
    • Author can archive a pre-print version
  • Post-print
    • Author cannot archive a post-print version
  • Restrictions
    • 12 months embargo
  • Conditions
    • Author's pre-print on author's personal website, institutional repository and open access repository
    • Author's post-print on author's personal website, institutional repository, open access repository, PubMed Central and arXiv
    • Non-Commercial
    • Published source must be acknowledged
    • Must link to journal home page with DOI
    • Publisher's version/PDF cannot be used
  • Classification
    ​ yellow

Publications in this journal

  • Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: The G-quadruplex is a non-canonical DNA secondary structure composed of planar stacks of guanine tetrads stabilized by Hoogsteen hydrogen bonding. Bioinformatics analysis indicates that guanine-rich sequences capable of forming G-quadruplexes are widespread in the human genome, particularly in telomeres and in the promoter regions of genes. G-quadruplex sequences found in the promoters of human oncogenes, such as c-myc, bcl-2 and k-ras, have attracted particular attention as molecular targets for therapeutic intervention due to their potential capability to regulate gene expression at the transcriptional level. Moreover, the G-quadruplex structure has been associated with a number of human diseases arising from defective telomeric maintenance. Despite intensive research in this area, however, the actual function of G-quadruplexes in vivo has not yet been fully understood. Therefore, significant research efforts have been devoted to the development of specific probes for detecting and distinguishing G-quadruplex structures from other nucleic acid molecules likely to be present in the cellular environment. This review summarizes recent advances in the development of G-quadruplex probes over the past three years, with a particular emphasize on the detection and imaging of G-quadruplex structures within living cells. Furthermore, the detection and biological relevance of RNA G-quadruplexes is discussed.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: Chromosomes in human cells are protected by telomeres. Telomere shortens during each round of cell division because of the DNA end-replication problem. Cancer cells maintain telomere length homeostasis by either telomerase or/and the alternative lengthening of telomere (ALT) mechanism to sustain their division potential. Telomeric DNA tends to form G-quadruplex preferentially at the extreme 3' end. This unique feature prevents the 3' end from being used as a substrate of telomerase and as a primer in the ALT. Therefore, stabilizing telomere G-quadruplex is expected to inhibit both pathways and limit the proliferation of cancer cells. Based on a mathematical modeling and experimental results, this mini-review proposes a hypothesis that the formation of G-quadruplex in telomere may constitute a significant contribution to the incomplete end-replication of telomere DNA by preventing the priming of DNA synthesis near the 3' end during telomere replication. According to this, stabilization of telomere G-quadruplex by chemical ligand may promise to accelerate telomere shortening in proliferating cells.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: Compelling evidence suggests that formation of guanine-quadruplex (G4) can protect the integrity of chromosome ends in eukaryotes, and regulate the activity of some gene promoters. In addition, G4 may be a novel therapeutic target. Thus, a number of ligands have been synthesized to stabilize G4. However, skepticism lingers over the existence of G4 in cells, as well as its biological function. The molecule 3,6-bis(1-methyl-4-vinylpyridium) carbazole diiodide (BMVC) can be used not only as a fluorescent probe to map endogenous and exogenous G4 in live cells, but also as therapeutic agent that arrests cancer growth by inhibiting telomerase activity and regulating gene expression. Thus, the fluorescence of a G4 anti-cancer agent is an invaluable tool to detect G4 in cells, investigate ligand-G4 interaction in live cells, examine the biological function of G4, and guide the development of new fluorescent anti-cancer agents.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: G-quadruplexes are four-stranded DNA structures formed from G-rich sequences that are built around tetrads of hydrogen-bonded guanine bases. Accumulating studies have revealed that G-quadruplex structures are formed in vivo and play important roles in biological processes such as DNA replication, transcription, recombination, epigenetic regulation, meiosis, antigenic variation, and maintenance of telomeres stability. Mounting evidence indicates that a variety of proteins are capable of binding selectively and tightly to G-quadruplex and play essential roles in G-quadruplex-mediated regulation processes. Some of these proteins promote the formation or/and stabilization of G-quadruplex, while some other proteins act to unwind G-quadruplex preferentially. From a drug discovery perspective, many of these G-quadruplex binding proteins and/or their complexes with G-quadruplexes are potential drug targets. Here, we present a general summary of reported G-quadruplex binding proteins and their biological functions, with focus on those of medicinal research significance. We elaborated the possibility for some of these G-quadruplex binding proteins and their complexes with G-quadruplexes as potential drug targets.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: Roles of RNA on transcriptional and post-transcriptional regulations have raised more attention since the new era of genomics. One of the secondary structures of RNA, the RNA G-quadruplex structure, is demonstrated a relatively stable existence in human tumor cells, virus, or other species relating to diseases. G-quadruplexes are special secondary structures formed by G-rich DNA and RNA sequences that fold into a four-stranded conformation. The G-quadruplexes formed in RNA are involved in many biological process including telomere elongation, transcription regulate, pre-mRNA splicing and translation. In this review, we will give a brief introduction to the structures of RNA G-quadruplexes, the biological roles and the potential to be as drug targets.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: The G-quadruplex is one of the most important DNA secondary structures and has elicited widespread interest in this field of scientific research. As G-quadruplex studies have progressed, its significant roles in a variety of biological process have been revealed, including telomerase activity, genome stability, DNA replication, and oncogene expression. In addition to its biological functions, as a special DNA quadruplex structure, it also has potential for other important applications like asymmetric catalysis, probing for important biomarkers, acting as a vehicle for drug delivery, or as a structural regulator for some nanostructure designs. Here, we discuss its application to aspects of biological target detection and drug delivery. Its utility in biological target detection mainly results from its special DNAzyme activity. We would summarize some typical systems, utilizing G-quadruplex as signal readout unit, for various target detection, such as SNP, miRNAs, ions, transcription factors and so on. On the other hand, its use in drug delivery always relies on probes' structural change, as the switch of drug release. Here, we would also exhibit some typical drug delivery designs.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: Drug discovery is aimed at finding therapeutic agents for the treatment of many diverse diseases and infections. However, this is a very slow an expensive process, and for this reason, in silico approaches are needed to rationalize the search for new molecular entities with desired biological profiles. Models focused on quantitative structure-activity relationships (QSAR) have constituted useful complementary tools in medicinal chemistry, allowing the virtual predictions of dissimilar pharmacological activities of compounds. In the last 10 years, multi-target (mt) QSAR models have been reported, representing great advances with respect to those models generated from classical approaches. Thus, mt-QSAR models can simultaneously predict activities against different biological targets (proteins, microorganisms, cell lines, etc) by using large and heterogeneous datasets of compounds. The present review is devoted to discuss the most promising mt-QSAR models, particularly those developed for the prediction of protein inhibitors. We also report the first multi-tasking QSAR (mtk-QSAR) model for simultaneous prediction of inhibitors against biomacromolecules (specifically proteins) present in Gram-negative bacteria. This model allowed us to consider both different proteins and multiple experimental conditions under which the inhibitory activities of the chemicals were determined. The mtk-QSAR model exhibited accuracies higher than 98% in both training and prediction sets, displaying also a very good performance in the classification of active and inactive cases that depended on the specific elements of the experimental conditions. The physicochemical interpretations of the molecular descriptors were also analyzed, providing important insights regarding the molecular patterns associated with the appearance/enhancement of the inhibitory potency.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: The knowledge on potential harmful effects of metallic nanomaterials lags behind their increased use in consumer products and therefore, the safety data on various nanomaterials applicable for risk assessment are urgently needed. In this study, 11 metal oxide nanoparticles (MeOx NPs) prepared using flame pyrolysis method were analyzed for their toxicity against human alveolar epithelial cells A549, human epithelial colorectal cells Caco2 and murine fibroblast cell line Balb/c 3T3. The cell lines were exposed for 24 h to suspensions of 3-100 µg/mL MeOx NPs and cellular viability was evaluated using Neutral Red Uptake (NRU) assay. In parallel to NPs, toxicity of soluble salts of respective metals was analyzed, to reveal the possible cellular effects of metal ions shedding from the NPs. The potency of MeOx to produce reactive oxygen species was evaluated in the cell-free assay. The used three cell lines showed comparable toxicity responses to NPs and their metal ion counterparts in the current test setting. Six MeOx NPs (Al<sub>2</sub>O<sub>3</sub>, Fe<sub>3</sub>O<sub>4</sub>, MgO, SiO<sub>2</sub>, TiO<sub>2</sub>, WO<sub>3</sub>) did not show toxic effects below 100 µg/mL. For five MeOx NPs, the averaged 24-h IC<sub>50</sub> values for the three mammalian cell lines were 16.4 µg/mL for CuO, 22.4 µg/mL for ZnO, 57.3 µg/mL for Sb<sub>2</sub>O<sub>3</sub>, 132.3 µg/mL for Mn3O4 and 129 µg/mL for Co<sub>3</sub>O<sub>4</sub>. Comparison of the dissolution level of MeOx and the toxicity of soluble salts allowed to conclude that the toxicity of CuO and ZnO and Sb<sub>2</sub>O<sub>3</sub> NPs was driven by release of metal ions. The toxic effects of Mn<sub>3</sub>O<sub>4</sub> and Co<sub>3</sub>O<sub>4</sub> could be attributed to the ROS-inducing ability of these oxide NPs. All the NPs were internalised by the cells according to light microscopy studies but also proven by TEM, Co<sub>3</sub>O<sub>4</sub> NPs seemed to be most prominent. In conclusion, this work provides valuable toxicological data for a library of 11 MeOx NPs. Combining the knowledge on toxic or non-toxic nature of nanomaterials may be used for safe-by-design approach.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: Evaluation of chemical and physical properties of nanomaterials is of critical importance in a broad variety of nanotechnology researches. There is an increasing interest in computational methods capable of predicting properties of new and modified nanomaterials in the absence of time-consuming and costly experimental studies. Quantitative Structure-Property Relationship (QSPR) approaches are progressive tools in modelling and prediction of many physicochemical properties of nanomaterials, which are also known as nano-QSPR. This review provides insight into the concepts, challenges and applications of QSPR modelling of carbon-based nanomaterials. First, we try to provide a general overview of QSPR implications, by focusing on the difficulties and limitations on each step of the QSPR modelling of nanomaterials. Then follows with the most significant achievements of QSPR methods in modelling of carbon-based nanomaterials properties and their recent applications to generate predictive models. This review specifically addresses the QSPR modelling of physicochemical properties of carbon-based nanomaterials including fullerenes, single-walled carbon nanotube (SWNT), multi-walled carbon nanotube (MWNT) and graphene.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: Supported transition metals on TiO2 surfaces have shown exceptional catalytic properties in many important process such as CO oxidation, selective propane oxidation, hydrogenation, water adsorption and other catalytic and photocatalytic oxidation reaction at low-temperature. Among the three polymorphs of TiO2 , the anatase crystal is the more photoactive. The anatase (101) surface attracts more attention since it has lower surface energy relative to (001) and (100) surfaces and it is observed to adsorb small molecules on its surface. Using density-functional theory (DFT) with on-site Coulomb interactions corrections, we have computed the structural and electronic *properties of selected Au8 clusters interacting with clean and reduced anatase TiO2(101) surfaces. The computed adsorption energies are suggesting that the considered Au8 clusters are only physisorbed onto pristine TiO2(101) surface. Oxygen vacancies are found to enhance the absorption of Au8 on the TiO2(101) surface. Accurate simulations required spin polarized DFT since the ground state of Au8 interacting with defective TiO2(101) shows magnetic solutions. The results show that Au8 clusters are chemically bonded to the surface around the locality of the oxygen vacancy. The surface oxygen vacancy is found to be energetically more favourable than sub-surface oxygen vacancy configuration. These vacancy sites may act as nucleation sites for small Au clusters or Au atoms. Finally, the computed electronic structure of all the Au8/TiO2(101) configurations considered in this work are analysed in the light of available experimental data.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: The problem in this work is the computational characterization of cyclodextrins, crown ethers and hyaluronan (HA) as hosts of inclusion complexes for nanosized drug delivery vehicles in pharmaceutical formulations. The difficulty is addressed through a computational study of some thermodynamic, geometric and topological properties of the hosts. The calculated properties of oligosaccharides of D glucopyranoses allow these to act as co solvents of polyanions in water. In crown ethers, the central channel is computed. Mucoadhesive polymer HA in formulations releases drugs in mucosas. Geometric, topological and fractal analyses are carried out with code TOPO. Reference calculations are performed with code GEPOL. From HA to HA•3Ca and hydrate, the hydrophilic solvent-accessible surface varies with the count of H-bonds. The fractal dimension rises. The dimension of external atoms rises resulting 1.725 for HA. It rises going to HA•3Ca and hydrate. Nonburied minus molecular dimension rises and decays. Hydrate globularity is lower than O(water), Ca2+ and O(HA). Ca2+ rugosity is smaller than for hydrate, O(HA) and O(water). Ca2+ and O(water) accessibilities are greater than hydrate. Conclusions are drawn on: (1) the relative stability of linear/cyclic and shorter/larger polymers; (2) the atomic analysis of properties allows determining the atoms with maximum reactivity.
    Current topics in medicinal chemistry 05/2015;
  • Current topics in medicinal chemistry 05/2015;
  • [Show abstract] [Hide abstract]
    ABSTRACT: Supported transition metals on TiO2 surfaces have shown exceptional catalytic properties in many important process such as CO oxidation, selective propane oxidation, hydrogenation, water adsorption and other catalytic and photocatalytic oxidation reaction at low-temperature. Among the three polymorphs of TiO2 , the anatase crystal is the more photoactive. The anatase (101) surface attracts more attention since it has lower surface energy relative to (001) and (100) surfaces and it is observed to adsorb small molecules on its surface. Using density-functional theory (DFT) with on-site Coulomb interactions corrections, we have computed the structural and electronic *properties of selected Au8 clusters interacting with clean and reduced anatase TiO2(101) surfaces. The computed adsorption energies are suggesting that the considered Au8 clusters are only physisorbed onto pristine TiO2(101) surface. Oxygen vacancies are found to enhance the absorption of Au8 on the TiO2(101) surface. Accurate simulations required spin polarized DFT since the ground state of Au8 interacting with defective TiO2(101) shows magnetic solutions. The results show that Au8 clusters are chemically bonded to the surface around the locality of the oxygen vacancy. The surface oxygen vacancy is found to be energetically more favourable than sub-surface oxygen vacancy configuration. These vacancy sites may act as nucleation sites for small Au clusters or Au atoms. Finally, the computed electronic structure of all the Au8/TiO2(101) configurations considered in this work are analysed in the light of available experimental data.
    Current topics in medicinal chemistry 05/2015;
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    ABSTRACT: To investigate the theoretical model of the three-dimensional structure of multidrug resistance protein 1(P-glycoprotein, expressed by MDR1 gene of E. histolytica) and its molecular docking with anti-amoebic agents. The theoretical model of multidrug resistance protein 1(P-glyoprotein, expressed by MDR1 gene of E. histolytica) was predicted by homology modeling on the structure of the 3G61. Docking studies were performed to investigate the interaction of p-glycoprotein with antiamoebic gents. MRPEH1F is significant model for p-glycoprotein and have total of 114 amino acid residues. The model is well supported by cross validation data generated after analyzing criss-cross residues, local geometry check as well as ramachandran plot. Molecular docking of MRPEH1F revealed that all the test molecules have strong binding affinity along with significant interactions. Henceforth, none of the molecules will probably be effective for the multidrug resistant strains of E. histolytica.
    Current topics in medicinal chemistry 05/2015; 15(10). DOI:10.2174/1568026615666150317222927