Medicinal chemistry (Shāriqah (United Arab Emirates)) Journal Impact Factor & Information

Publisher: Bentham Science Publishers

Journal description

Current impact factor: 1.36

Impact Factor Rankings

2015 Impact Factor Available summer 2016
2014 Impact Factor 1.363
2013 Impact Factor 1.387
2012 Impact Factor 1.373
2011 Impact Factor 1.496
2010 Impact Factor 1.603
2009 Impact Factor 1.642

Impact factor over time

Impact factor

Additional details

5-year impact 1.39
Cited half-life 4.20
Immediacy index 0.44
Eigenfactor 0.00
Article influence 0.30
ISSN 1875-6638

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 homepage with DOI
    • Publisher's version/PDF cannot be used
  • Classification
    ​ yellow

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: S. divinorum is a psychoactive plant that, in the last years, has been consumed as a recreational drug of abuse. Salvinorin A is the main constituent and the responsible for the psychoactive effects attributed to this herb. Both S. divinorum and salvinorin A have become controlled drugs in various countries, but they are not listed in the Schedules of the United Nations Drug Conventions. Regarding the effects of the consumption of S. divinorum, almost all studies are based on in vivo or on survey-based studies and there are no studies on its toxicity in vitro. Furthermore, all studies are focused in the acute toxicological effects promoted by this plant. So, it is of utmost importance to further investigate the effects of S. divinorum and salvinorin A, particularly on in vitro models, after a prolonged time exposure. In this context, the present work evaluated the toxicity in vitro induced by S. divinorum or salvinorin A in six cell lines, through MTT assays and LC50 determination. Overall, results showed that both S. divinorum and salvinorin A are cytotoxic, dose- and time-dependent. Also, Hep G2, and, in a lesser extent, Caco 2 cells showed lower sensitivity to S. divinorum and salvinorin A, comparing to the other cells. To our knowledge, this is the first work focused on in vitro toxicity of S. divinorum and salvinorin A using a variety of cell lines, extensively described in literature and widely used in a variety of in vitro studies.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 10/2015;
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    ABSTRACT: There are rapidly replicating human data suggesting the therapeutic and neurorestorative role of repetitive transcranial magnetic stimulation (rTMS) in clinical depression. However there are only limited experimental studies in the literature and the neurobiological mechanisms of the technique are still unclear. Studies have suggested that modulating of either excitatory or inhibitory neural circuitry may be responsible for the mechanism of action of rTMS while it is still unclear whether rTMS exerts a neuroprotective effect. In the light of these findings, we aimed to review the neuroprotective effect of rTMS in animal models of depression. We have shown that rTMS may exert significant neuroprotective effect through acting on the oxidative injury, stress hormones, dopamine and serotonin levels, Brain Derived Neurotrophic Factor expression, neuroinflamation and hippocampal cell proliferation.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 10/2015;
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    ABSTRACT: Chemically diverse scaffold set of HIV-1 Reverse Transcriptase Inhibitors (HIV-1 RTI) was subjected to optimum oriented QSAR with large descriptor space. We generated four-parameter QSAR model based on 111 data points, which provides an optimum prediction of HIV-1 RTI for overall 367 experimentally measured compounds. The robustness of the model is demonstrated by its statistical validation and by the prediction of HIV-1 inhibition activity. A statistically significant QSAR model describing the anti-viral properties of NNRTIs (Ntraining = 111, R2 = 0.85, F=145.55, Q2lmo = 0.84) was obtained. Finally, 3 new hit compounds that met the pharmacophore constraints, similarity and had good predicted pIC50 values from in-silico virtual screening process were employed to analyze the binding ability by molecular modelling studies on HIV-1 RT protein targets.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 10/2015;
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    ABSTRACT: Background: Previously, modification of isoniazide- and pyrazinamide-derived pharmacophores via the Ugi multicomponent reaction proved to be an effective strategy to obtain efficacious and non-cytotoxic antimycobacterial leads. Objective: To apply the hydrazino-Ugi reaction developed in our group toward modifying these pharmacophores with similar appendages as reported previously; to create hydrolytically more stable compounds which are based on acyl hydrazine, rather than diamide backbone. Method: Six hydrazino-Ugi products were synthesized and modified at the reactive nitrogen atom via reductive Alkylation. Additionally, by conducting the hydrazino-Ugi reaction in methanol, three methyl ester by-products were obtained and tested alongside the main library. Compounds were screened against M. tuberculosis H37Rv strain and checked for cytotoxicity vs. HEK293 cells. Hydrolytic stability of a model Ugi and one of the newly synthesized hydrazino-Ugi products was compared in rat plasma stability experiments. Results: 6 out of 20 compounds prepared and tested, displayed potent inhibition of M. tuberculosis growth and virtually no cytotoxicity in the testing concentration range. The stability of a sample hydrazino-Ugi product in rat plasma was over 3 times higher compared to that of one of the Ugi products reported earlier. Conclusion: Hydrazino-Ugi reaction represents an effective way to modify classical antitubercular chemotypes and generate compounds endowed with specific antimycobacterial activity. These are new, hydrolytically stable leads for the future antitubercular therapy development.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 10/2015; 11(999). DOI:10.2174/1573406411666151002130441
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    ABSTRACT: Background Neuronal Nitric Oxide synthase (nNOS) is an attractive challenging target for the treatment of various neurodegenerative disorders. To date, several structure-based studies were conducted to search for novel selective nNOS inhibitors. Objective Discovery of novel nNOS lead scaffolds through the integration of ligand-based three-dimensional (3D) pharmacophore (s) with QSAR model. Method The pharmacophoric space of ten structurally diverse sets acquired from 145 previously reported nNOS inhibitors was scrutinize to fabricate representative pharmacophores. Afterward, genetic algorithm together with multiple linear regression analysis were applied to find out an optimal pharmacophoric models and 2D physicochemical descriptors able to produce optimal predictive quantitative structure-activity relationship (QSAR) equation (r2116 =0.76, F = 353, r2LOO = 0.69, r2PRESS against 29 external test ligands =0.51). A minimum of three binding modes between ligands and nNOS binding pocket were rationalized by the emergence of three pharmacophoric models in the QSAR equation. The QSAR-selected pharmacophores were validated by receiver operating characteristic curves analysis and afterward invested as a tool for screening national cancer institute (NCI) database. Results Low micro molar novel nNOS inhibitors were revealed. Conclusion two structurally diverse compounds 148 and 153 demonstrated new scaffolds toward the discovery of potent nNOS inhibitors.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 10/2015; 11(999). DOI:10.2174/1573406411666151002130609
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    ABSTRACT: Nine novel mono-oxime reactivators bearing xylene linker were synthesized in effort to improve previously prepared xylene bisoximes and monocarbamoyl-monooximes. The novel compounds were tested in vitro on the model of tabun-, paraoxon-, methylparaoxon- and DFP-inhibited human erythrocyte AChE. Their reactivation ability was compared to pralidoxime, asoxime, obidoxime and two previously prepared xylene linked bisoximes (K107, K108). All compounds showed minimal reactivation of tabun-inhibited AChE at selected concentration scale. This finding was explained by molecular modelling study. Bisoximes obidoxime and K108 resulted as the best reactivators for paraoxon-, methylparaoxon- and DFP-inhibited AChE. The loss of non-oxime moiety lead to the loss of reactivation ability within the novel compounds. Though the novel reactivators did not exceed previously known compounds, they confirmed former SAR findings for xylene-linked AChE reactivators.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 10/2015; 11(999). DOI:10.2174/1573406411666151002125640
  • Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411999150929112309
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    ABSTRACT: Coronary Heart Disease (CHD) is the major mortality cause in the Western Hemisphere. Reinstituting blood flow in the acutely occluded coronary vessel became the standard intervention to prevent Myocardial Infarct (MI) progression. Ever since their conception, thrombolysis, Percutaneous Coronary Intervention (PCI) and Coronary Artery Bypass Grafting (CABG) have been at the forefront of CHD treatment, limiting MI size. However, it quickly became apparent that after a period of ischemia, reperfusion itself sets off a cascade of events leading to cell injury. It seems that cellular changes in the ischemic period, prime the cell for a loss of homeostasis once blood flow returns. Loss of calcium (Ca2+) regulation has been found to be a main culprit in both ischemia and reperfusion. Indeed, sarcoplasmic Ca2+ overload during reperfusion is related to hypercontracture, proteolysis and mitochondrial failure - the so-called Reperfusion Injury (RI). Ca2+ channels of the sarcolemma (SL) (L-Type Ca2+ Channels, Sodium / Calcium Exchanger) initiate Ca2+ flux and those of the Sarcoplasmic Reticulum (SR) (Ca2+ ATPase, Ca2+ release channel) sustain the rise in intracellular Ca2+ concentration. Ensuing interplay between Ca2+, SR, mitochondria, myofilaments and proteolytic cascades i.e. calpain activation, results in cell injury. Novel insight about this interplay and details about the extent by which each of these players contributes to the RI, may allow scientists to devise and design proper interventions that ultimately reduce RI in clinical practice. The present article reviews the literature about key subcellular players participating in the sustained rise of cardiac myocyte cytosolic Ca2+ during ischemia and reperfusion.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150928112420
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    ABSTRACT: Platelets are involved in haemostasis and vessel integrity under physiologic conditions, and in thrombosis under disease states. Platelet activation upon stimulation with various agonists in-vitro and in-vivo, is strongly dependent on an increase of intracellular Ca2+ concentration. The latter results from Ca2+ release by the dense tubular system (DTS), and Ca2+ entry from the extracellular space. Recent advances in identification of the molecular mechanisms involved in these processes are described in this review, along with potential targets for pharmacologic interventions in disease states.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150928112638
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    ABSTRACT: In the beginning, atherosclerosis was considered to be the result of passive lipid accumulation in the vascular walls. After tremendous technological advancements in research, we are now able to almost admire the complexity of the atherosclerotic process. Atherosclerosis is a chronic-inflammatory condition that begins with the formation of calcified plaque, influenced by a number of different factors inside the vascular wall in large and mid-sized arteries. Calcium mineralization of the lumen in the atherosclerotic artery promotes and solidifies plaque formation causing narrowing of the vessel. Soft tissue calcification associated with tissue denegation or necrosis is a passive precipitation event. The process of atherogenesis is mainly driven by CD4+ T cells, CD40L, macrophages, foam cells with elevated transcription of many matrix metalloproteinases, osteoblasts, cytokines, selectins, myeloperoxidases, vascular adhesion molecules (VCAM), and smooth muscle cells. Our knowledge in the genesis of atherosclerosis has changed dramatically in the last few years. New imaging techniques such as intravascular ultrasound or IVUS have made possible to investigate atherosclerosis in early stages. Arterial calcification emerges from two different types, the medial-elastin dependent and the intimal, both of which are directly related to atherosclerosis due to osteoblast differentiation of vascular smooth muscle cells. The deposition of minerals in the form of calcium (Ca2+) initially emerges from the inorganing mineral octacalcium phosphate [Ca8H2(PO4)6.5H2O] to the form of Hydroxylapatite [Ca10(PO4)6(OH)2]. This review is devoted to broaden the understanding regarding atherosclerosis and the central role of calcium in the development of the condition.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150928111446
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    ABSTRACT: Cardiovascular disease is the leading cause of death worldwide and there is extensive research on the pathophysiology of all its clinical entities. Despite the big array of possible therapeutic modalities for cardiovascular disease, there is still a big necessity to develop novel treatments that will augment our strategies for tackling the burden of cardiovascular disease and decrease morbidity and mortality. A major player in both the physiology and pathophysiology of the cardiovascular system is calcium. Extracellular calcium is required in order to initiate cardiac muscle contraction and promote the calcium-induced calcium release mechanism from the sarcoplasmic reticulum. A lot of molecules and structures that in a direct or indirect way interact with calcium are being studied and there is a constant flow of new information that is emerging. In this review we focus on some of these calcium metabolism modulators representatives such as SERCA2a, RyR2, S100A1, phosholamban and calcineurin. We emphasize on their mechanism of action, their role in cardiovascular disease and potential therapeutic implications. We also focus on the effect the bisphosphonates might have in regression of the calcium deposition in the human arteries as well as the usage of novel biomarkers such as mircoRNAs in calcium metabolism modulation in heart disease.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150928113918
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    ABSTRACT: Although HF has multiple causes amongst which coronary artery disease, hypertension and non-ischemic dilated cardiomyopathy are the most common, it results in the same final common pathway of neurohormonal activation and multiorgan dysfunction in the context of a salt-avid state. Contemporary pharmacologic HF therapy targets neurohormonal activation at multiple levels with β-blockers, angiotensin converting enzyme inhibitors, and aldosterone inhibitors, aiming in reversing both its systemic consequences, and the adverse heart remodeling, however is frequently hampered by side effects of the drugs, limiting its benefit. During the last 40 years studies of the gross and molecular aspects of the pathophysiology of HF convincingly converge to the conclusion that deranged calcium (Ca2+) handling in the cardiomyocytes plays a cardinal role in HF initiation and progression. The delicate and precise regulation of Ca2+ cycling i.e. movement into and out of the cell, as well as into and out of the sarcoplasmic reticulum (SR), is finely tuned by numerous macromolecular proteins and regulatory processes like phosphorylation and dephosphorylation, and is severely deranged in HF. The common denominator in this scenario is Ca2+ depletion of the SR, however loading of cardiomyocytes with Ca2+ as a result of classic inotropic therapy has proved to be detrimental in the long term. Therefore, the mediator and/or regulatory components of the Ca2+ cycling apparatus have been the focus of extensive research involving targeted pharmacologic and gene interventions aiming to a restoration of Ca2+ cycling processes, thus improving inotropy and lucitropy in a more "physiologic" way in the failing myocardium.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150928113227
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    ABSTRACT: A novel series of iodo-chrysin derivatives with resorcinol as raw materials were synthesized according to Baker-Venkataraman reaction and their inhibitory activities in vitro against thyroid cancer cell lines (SW-579 and TT) were evaluated by the standard methyl thiazole tetrazolium (MTT) method. Biological test results showed that these derivatives possessed stronger anti-thyroid cancer activities than 5-FU. Compound 21 showed the strongest activity against SW-579 cell lines with IC50 value of 3.4μM and compound 10 showed the strongest activity against TT cell lines with IC50 value of 6.2μM, it was better than 5-FU (59.3μΜ, 18.4μM respectively).
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150921111220
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    ABSTRACT: Harmine 1 was extracted from the seeds of Peganum harmala. From this natural molecule, a new series of isoxazole derivatives has been prepared, conducted with complete regiospecificity, by 1,3-dipolar cycloaddition reaction using various arylnitrile oxides. Harmine and its derivatives were characterized by 1H NMR, 13C NMR and HRMS. The evaluation of the anti-acetylcholinesterase (AChE), anti-5-lipoxygenase (5-LOX), anti-xanthine oxidase (XOD) and anticancer activities of harmine 1 and all its structural analogues was studied in vitro against the AChE, 5-LOX and XOD enzymes, HTC-116, MCF7 and OVCAR-3 cancer cell lines, respectively. The prepared derivatives were shown to be inactive against XOD enzyme (0-38.3±1.9% at 100 µM). It has been found that compound 2 had the best anti-AChE, activity (IC50=1.9±1.5 µM). Derivatives 3a, 3b and 3d showed moderate cytotoxic activity (IC50=5.0±0.3 µM (3a) and IC50=6.3±0.4 µM (3b) against HCT 116 cell line, IC50=5.0±1.0 µM (3d) against MCF7 cell line).
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 09/2015; 11(999). DOI:10.2174/1573406411666150911115850
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    ABSTRACT: 2-Arylquinazolin-4(3H)-ones (1-25) were synthesized and evaluated for their xanthine oxidase inhibitory activity with IC50 values in the range of 2.80 ± 0.70 - 112.60 ± 3.01 µM, as compared to the standard, allopurinol (IC50 = 2.01 ± 0.01 µM). Significant to moderate activities were exhibited by the compounds 1-3, 7, 9, 13-15, 19-21, and 23 with IC50 between of 2.8 - 28.13 µM. Compounds 4-6, 8, 11-12, 16-18, 22, and 24 demonstrated a weak activity with IC50 values 44.60 - 112.60 µM. Nonetheless, compounds 10 and 25 did not show any activity. Amongst all derivatives, compound 2, containing a C-4' dimethyl amino group, was the most potent inhibitor of the enzyme with an IC50 value comparable to the standard. Kinetics studies on the most active compounds (2, 7, 9, 14, 15, 19, and 20) were carried out in order to determine their modes of inhibition and dissociation constants Ki. Some of the compounds of 2-arylquinazolin-4(3H)-one series were thus identified as potential leads for further studies towards the treatment of hyperuricemia and gout.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 08/2015; 11(999):1-1. DOI:10.2174/1573406410666150807111336
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    ABSTRACT: The 3D-QSARs models of 29 flavone-8-acetic acid derivatives of aminopeptidase N inhibitors were generated by applying the molecular interaction fields at various 3D grid spacing. The cross-validated correlation coefficient q<sup>2</sup><sub>LMO</sub> (0.6019) and conventional correlation coefficient r<sup>2</sup> (0.9756) were obtained at a 1.0 Å 3D grid spacing, indicating the statistical significance of this class of compounds. The calculated inhibitory activities showed a high degree of agreement with experimental values. Then, the 4 ns MD simulation of ligand-receptor complex was carried out. The stable binding mode of the compound 19b was determined.
    Medicinal chemistry (Shāriqah (United Arab Emirates)) 07/2015;