ISSN (Print): 1385-2728
ISSN (Online): 1875-5348
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ISSN (Print): 1385-2728
ISSN (Online): 1875-5348
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György Keglevich Budapest University of Technology and Economics Budapest Hungary
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Special Issue Submission
"Current Enzyme Inhibition is an important review journal that describes recent developments in enzyme inhibition studies and is of great value to pharmaceutical and medicinal chemists."
Richard B. Silverman
Northwestern Univ., USA
Protein Kinases and Their Inhibitors
Current Enzyme Inhibition, Volume 13, Number 2
Guest Editor(s): Satya P. Gupta
"We are very satisfied by the services of Bentham Science Publishers; due to which we publish the majority of our papers with you.
(Faculty of Pharmacy, “Victor Babes” University of Medicine and Pharmacy, Timisoara, Romania)
8 Abstract Ahead of Print are available electronically
18 Articles Ahead of Print are available electronically
In the last few decades, catalyzed organic and bioorganic reactions have attracted much attention in chemical and
pharmaceutical researches [1, 2]. Recently, the design of novel catalysts and enzymes is in much demand to circumvent certain
intractable synthetic problems [3-6].
In this light, the modeling of catalytic procedures seems to be necessary and also important in the synthesis of emerging
classes of organic compounds that are becoming the targets of molecular and biomedical researches [7-10].
Strictly speaking, the combination of computational approaches with experimental methods to model and interpret the
mechanistic features of catalytic and enzymatic organic reactions provides more detailed information about the structure,
bonding, stereochemistry and spectroscopic properties of compounds through the reaction path and consequently, leads to the
new opportunities for production of novel chemicals and discovery of useful drugs [10-11].
In this context, the main goal of this thematic issue is to present comprehensive joint experimental and computational
researches set in the field of catalytic organic synthesis and their rational mechanistical underpinning and the conjunction of
experimental features of catalytic and enzymatic reactions with computational approaches will be covered.
This thematic issue contains 3 reviews, written by highly knowledgeable teams with tremendous amount of experience in
the field of computational organic chemistry, which are discussed as follows:
The first article of this special issue by Laura Orian and her coworkers from the University of Padova describes the essential
synthetic and reactivity aspects of organoselenides in a rational combination with the results of computational studies. In this
line, reactivity of the Se-Se bond and the redox properties of selenium are discussed to produce diselenides compounds for the
catalysis of many organic reactions and along with its enzymatic application as glutathione peroxidase, inspiring novel
elements for rational catalyst, enzymes and drug design.
The second review is provided by Ana María Mendoza-Wilson and her colleague on chemical structure and reactivity of
procyanidins. Clearly speaking, in this review, the recent advances of experimental and computational studies on the potential
of procyanidins as metalloproteinases inhibitors were investigated. In the last review article of this special issue by Tayebeh
Hosseinnejad and Majid M. Heravi and their co-worker, Hantzsch dihydropyridines synthesis and their biological activities and
also their applications in asymmetric transfer hydrogenation are investigated from the combined experimental and computational
As a result, the thematic issue contains the reviews of emerging and cutting edge researches in the field of computational
chemistry and modeling and hopefully attracts substantial attentions and stirs up the interest of readers in the related research
community. Finally, I would like to acknowledge all the contributing authors, reviewers and the Editorial Office for their
consistent efforts in bringing out this special issue.
Solid Phase Organic Synthesis (SPOS) was first introduced for peptide synthesis and is pioneered by R. B. Merrifield,
which later earned him a Nobel Prize in Chemistry in 1984 [1, 2]. The solid-phase synthesis carries many advantages over
classical solution-phase synthetic methods which may include purification of products by simple filtration of the polymer
matrix , automatability , easy handling, low moisture susceptibility , minimum side reaction, polymerization-free due
to site-isolation of polymer beads  and recyclability of the polymer matrix for repeated useage [7, 8]; thereby adding the
‘green’ credentials of the whole processes.
Earlier, SPOS mainly refers to a multi-step organic synthesis using a polymer-bound reagent. However, these days, the
single step organic synthesis using polymer and/ or other solid catalysts/ reagents is also included in SPOS domain.
In recent years, polymer-bound reagents/ catalysts have received major attention from industry and academia mainly due to
their easy handling, separation, and reusability [9-12]. In addition, as polymeric reagents/catalyst can be recycled and reused,
they can be used in an excess amount to drive the reaction faster.
In this special issue, different reviews related to SPOS have been contributed by experts in these fields of research:
In the paper by Prof. Ilia and co-worker entitled “Solid-Phase Synthesis of Phosphorus Derivatives”, different approached
for the solid phase synthesis of oligonucleotides, nucleobases, nucleoside, phosphates and phosphonates are extensively
Prof. Ohtaka in the paper “Transition-Metal Nanoparticles Catalyzed Carbon-Carbon Coupling Reactions in Water” reports
the most important advances in Carbon-Carbon bond formation reactions such as Suzuki coupling, Heck reaction, Sonogashira
coupling, Stille coupling, Hiyama coupling and Ullmann coupling catalyzed by different transition metal nanoparticles.
The final contribution to this special issue is provided by Rokhum et al. This review entitled “Recent Application of
Polystyrene-Supported Triphenylphosphine in Solid Phase Organic Synthesis” covers several applications of polymer-bound
triphenylphosphine as a catalyst as well as a regent in different chemical transformations such as Henry reaction, Wittig
reaction, Mitsunobu reaction, esterification reaction, and cross-coupling reaction.
As Guest Editors we would like to take this opportunity to thank all the authors who have kindly agreed to our invitation
and contributed a review for this special issue. We also wish to thank all the reviewers for their support in evaluating the
We sincerely thank the Editor-in-Chief, Prof. György Keglevich and the Editorial Manager Ms. Sanober Maqbool for their
constant support in the successful publication of this special issue. It has been a great pleasure to work with Bentham Science
In the last decades important challenges have been overcome due to the comprehension of the
supramolecular organic chemistry. Non-covalent interactions and aggregation properties often play a
central role in the development of new bioactive compounds, carriers systems and delivery devices as well
as in the improvement of natural products as starting materials for innovative uses, including tissue
engineering and medicine. In many cases different techniques are required to characterize newly formed
supramolecular systems in term of dimension, morphology, microviscosity and stability, or to point out the
aggregation tendency of the investigated molecules.
Promising strategies are also based on the formation of aggregates or the inclusion of molecules into
carrier systems for new targets; the characterization of nanoparticles; the use of the therapeutic polymers;
the synthesis of molecules mimicking natural compounds; the applications of traditional or modern
techniques to highlight aggregation properties.
The aim of this special issue is to report the recent advances in topic aspects of the supramolecular organic
chemistry in a large variety of applications involving self-assembly process and including all cases in which
the supramolecular behavior represents the relevant key for future perspectives in the scientific research.
Metal-organic frameworks (MOFs), also known as porous coordination polymers (PCPs), are
constructed from the coordination of metal ions or metal clusters with organic ligands. MOF
studies have emerged as one of the most important topics in chemistry and materials science in
the past two decades. The porosities of MOF materials can be systematically tuned by judicious
selection of molecular building blocks, and a variety of functional sites/groups can be introduced
into metal ions/clusters, organic linkers, or pore spaces through pre-designing or post-synthetic
approaches. These unique advantages enable MOFs to be used as a highly versatile and tunable
platform for various applications in gas storage and separation, chemical sensing, catalysis, and
biomedicine. MOFs have some intrinsic advantages to develop as a new class of catalytic
materials, such as their ultra-high surface areas (up to 7000 m2
/g), tunable pore sizes/shapes, and
easily immobilized catalytic active centers into metal nodes or organic linkers. Also, some
catalytically active molecules or nanoparticles could be encapsulated into the cavities of MOFs.
These attractive features have led to a rapidly growing number of MOFs for heterogeneous
catalysis. The purpose of this thematic issue is to summarize and highlight the advanced
development of MOFs and their emerging applications in organic chemistry related fields. The
topic of this issue will cover several fields that be contributed from experts from organic
chemists, inorganic chemists and materials scientists: (1) The advanced development of MOFs,
such as novel synthetic approach, post-synthesis, and In situ growth mechanism studies of
MOFs; (2) Emerging and promising applications of MOFs, such as light hydrocarbon separation,
catalytic organic transformation, photocatalysis, sensing of small molecules, bioimaging and
Inflammation results from a process in response to noxious stimuli in from tissues by pathogenic
agent and / or irritated or damaged cells from an inflammatory immune response involving the
immune cells, blood vessels and molecular inflammatory mediators .
Inflammatory diseases may be provided by an acute or chronic phase. In the acute phase we have
an innate immune response by characterized flush appearance, heat and increasing the entry into
service on site . In contrast, the chronic phase is from persistent acute inflammation by the
recruitment of monocytes, leukocytes and macrophages as well as proinflammatory cytokines.
At this stage one can achieve with tissue destruction and fibrosis necrosis site . Chronic
inflammation may lead to a number of diseases such as asthma , rheumatoid arthritis ,
atherosclerosis , intestinal diseases , among others.
The objective for this thematic issue is to report recent studies about different approaches in drug
discovery, which comprises synthesis, semi-synthesis, searches for new targets, natural products,
evaluation of biological activities, and/or theoretical approaches as structure-based approaches,
SAR, QSAR, docking and several cheminformatics methods , for investigation and selection
of new lead molecules. These efforts involve several studies to aid the drug discovery of new
options of treatment of inflammatory diseases.
I propose you a revision of the state of the art in the field nanotechnology-organic chemistry.
This a very actual, wide and open area of research that is the joint of many different research
fields. Due to this fact, there is not a book or a thematic issue that gives its state of the art. Base
on this I believe that this area needs thematic issue like this. I propose to include the study of the
organic molecules that are used in the last years for the modification of surfaces (metallic or not:
mainly silicon, organic substrates as cellulose, and carbon) and the main carriers that are used in
the delivery of actives compounds, from lipid nanoparticles to nanofibres. Moreover I propose to
include a chapter focused on the delivery of antitumoral actives.
Biopolymer means the polymers which are produced in a natural way by living species. In general their
molecular structures are composed of the units of saccharides, nucleic acids and also different additional
chemical side chains contributing to their consequences. The utilization of the biopolymers by Humans
comes under the category of food, clothing and furniture. On the other side if we talk about the industrial
applications of biopolymers, then it is found that fossil fuels are the substantial origin for the manufacture
of the commercial products for example, plastics which is presently used at very high scale. Some of the
biopolymers examples are such as Proteins, Carbohydrates, Lipids, DNA, RNA, Nucleic acids, Peptides,
Polysaccharides (glycogen, starch, cellulose etc.). There are basically four main classifications of
biopolymers available considering both natural and synthetic polymers carbohydrate based biopolymer,
starch based biopolymer, biopolymers based on synthetic materials and cellulose based biopolymers. In
this issue we are mainly focusing on the history and origination of the biopolymers, their classifications
and biopolymer based formulations such as Biocomposites etc.. We will also discuss about the various
applications of these biopolymer formulations in the field of biomedical engineering and industrial fields.
Sugar based polymers, such as polylactides, naturally degenerate in the human body without producing
any harmful side effects. Polylactides are generally used as surgical implants. Starch based biopolymers
can be used for creating conventional plastic by extruding and injection molding. Biopolymers based on
synthetic are used to manufacture substrate mats. Cellulose based biopolymers, such as cellophane, are
used as a packaging material.
In the Thematic Issue “Transformation of POPs in the environment" the selected organic
micropollutants listed by Stockholm convention as well as micropollutants listed in some other
international and national law legislations will be described. There will also be characterized
some other organic micropollutants that are not listed in current legislations but they cause
hazard for health and people life due to their estrogenic biological activity, carcinogenic,
mutagenic or teratogenic activity. The organic micropollutants include: polychlorinated
dibenzodioxyns PCDD, polychlorinated dibenzofurans PCDF, polychlorinated biphenyls PCBs,
selected insecticides and pesticides, polycyclic aromatic hydrocarbons (PAHs), halogenated
compounds (determination as AOX) and by-products of water treatment, di-2-
ethylocsylophtalans DEHP, nonylphenols NPE and ethoxylated of nonylphenols compounds
NPEO and some surfactants, such as linear alkylo benzosulphonans LAS. Moreover, the current
topic is the presence in the environment emerging organic contaminants as well as biologically
active substances so called as endocrine disrupting compounds such as: pharmaceutics and
cosmetics remains and bactericidal compounds (personal care products PCP), flame retardants
Frs and preservatives and impregnates.
Due to their essential roles in photosynthesis, chlorophylls are omnipresent from photosynthetic
prokaryotes to higher plants, being considered the most important pigments on Earth. Such vital
function derives from its structure, chlorophylls can absorb light quanta effectively, but also they
can release and take up electrons reversibly. Chlorophylls are cyclic tetrapyrroles carrying a
characteristic isocyclic five-membered ring that are functional in light-harvesting or in charge
separation in photosynthesis. The general term ‘chlorophylls’ includes several kinds of
chlorophyll structures depending of the unsaturation degrees of the macrocycle. Fully
unsaturated porphyrin macrocycle is present in c-type chlorophylls of chromophyte algae and
some prokaryotes. The chlorin system shows a saturated bond between C17-18 and it is present
for example in the chlorophylls a and b of oxygenic organism and in some bacteria. Finally, the
bacteriochlorin type exhibits two saturated bonds at C7-8 and C17-18, and it has been described
in bacteriochlorophylls of anoxygenic bacteria. During the last year, mass spectrometry has been
used successfully to obtain information of the structural configuration of the different
chlorophylls, not only related with identification and characterization but also providing insights
of the mechanism of reaction. The present theme issue will review the recent developments in
the field of mass spectrometry covering different chlorophyll structures.
It has become the scientific focus to advance the synthesis methods and the analysis techniques
for organic materials because of these materials’ importance in food, pharmaceutical and medical
industries. A good understanding of the properties of a material (e.g., composition, chirality,
structure, thermal stability and phase transformation) is crucial for food processing and safety,
drug design and manufacturing and medical applications. Thus there’s an increasing demand for
a wide range of modern characterisation techniques.
This proposed thematic issue will try to present the latest advances, trends and challenges in
modern synthesis methods and analysis techniques by collecting the review articles on some
emerging techniques (e.g., 3D printing, small angle X-ray scattering) as well as some more
traditional techniques (e.g., nuclear magnetic resonance, differential scanning calorimetry and Xray
diffraction). It will also highlight some in-situ monitoring techniques (e.g., the simultaneous
X-ray diffraction- differential scanning calorimetry technique for the characterization of solid
Chitosan, a natural polymer obtained by alkaline deacetylation of chitin, is the only cationic
polysaccharide in nature. Chitosan could be chemical modified by different ways, such as
oligomerization, alkylation, acylation, quternization, hydroxyalkylation, carboxyalkylation,
thiolation, sulfation, phosphorylation, enzymatic modifications and graft copolymerization along
with many assorted modifications. Then many derivates of chitosan could be obtained. Chitosan
and its derivates show excellent biological qualities: they are biocompatible, biodegradable,
mucoadhesive and non-toxic, and exhibit antimicrobial, antiviral gene transfection and
immunoadjuvant properties. Chitosan and its derivates have a variety of promising applications
in medicine and pharmaceutics and are presently considered as a novel carrier material in drug
delivery systems, gene therapy, tissue engineering scaffold, wound healing, antibacterial, fat
binder, hemostatic agent, hypocholesterolemic effect as indicated by the large number of studies
published over the last few years. They can be easily processed in diverse forms, such as
membranes, microparticles/nanoparticles, fibres, hydrogels or sponges, and allowing the design
of a variety of medical and pharmacological devices adaptable to end purposes. In this special
issue, I’ll bring together a number of top-ranked international scientists to discuss the recent
advances about the strategies for design, synthesis, functionalization and applications of chitosan
and its derivates for applications in medical materials. This special issue is aiming for a broad
audience of readers in the field of material sciences, chemistry, medicine and pharmaceutics.
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