Molecular Diversity (Mol Divers)

Publisher: Springer Verlag

Journal description

Molecular Diversity is a new publication forum for the rapid publication of refereed papers dedicated to describing the development application and theory of molecular diversity and combinatorial chemistry in basic and applied research and drug discovery. The journal publishes both short and full papers perspectives news and reviews dealing with all aspects of the generation of molecular diversity application of diversity for screening against alternative targets of all types (biological biophysical technological) analysis of results obtained and their application in various scientific disciplines/approaches including: combinatorial chemistry and parallel synthesis small molecule libraries peptides proteins oligonucleotides carbohydrates structure/function/SAR computational chemistry/molecular design screening techniques and screening interfaces analytical methods robotics/automation/miniaturization new approaches/methods of library formulation and deconvolution directed evolution/origin of life/recombination theory (search techniques landscapes random chemistry). The journal will accept two types of manuscripts: (i) Full length papers giving a comprehensive description of original work. (ii) Short communications for rapid publication of novel observations. In addition Perspectives Reviews and Conference Reports are published occasionally.

Current impact factor: 1.90

Impact Factor Rankings

2015 Impact Factor Available summer 2016
2014 Impact Factor 1.896
2013 Impact Factor 2.544
2012 Impact Factor 2.861
2011 Impact Factor 3.153
2010 Impact Factor 3.721
2009 Impact Factor 2.071
2008 Impact Factor 2.708
2007 Impact Factor 2.708
2001 Impact Factor 4.444
2000 Impact Factor 2.409
1999 Impact Factor 1.373
1998 Impact Factor 2.544
1997 Impact Factor 2.63
1996 Impact Factor 6

Impact factor over time

Impact factor

Additional details

5-year impact 2.41
Cited half-life 4.60
Immediacy index 0.35
Eigenfactor 0.00
Article influence 0.46
Website Molecular Diversity website
Other titles Molecular diversity (Online)
ISSN 1573-501X
OCLC 41975810
Material type Document, Periodical, Internet resource
Document type Internet Resource, Computer File, Journal / Magazine / Newspaper

Publisher details

Springer Verlag

  • Pre-print
    • Author can archive a pre-print version
  • Post-print
    • Author can archive a post-print version
  • Conditions
    • Author's pre-print on pre-print servers such as
    • Author's post-print on author's personal website immediately
    • Author's post-print on any open access repository after 12 months after publication
    • Publisher's version/PDF cannot be used
    • Published source must be acknowledged
    • Must link to publisher version
    • Set phrase to accompany link to published version (see policy)
    • Articles in some journals can be made Open Access on payment of additional charge
  • Classification
    ​ green

Publications in this journal

  • [Show abstract] [Hide abstract]
    ABSTRACT: A series of pyrazole-4-sulfonyl chlorides was obtained by a convenient 2-step method starting from synthetically available 2-(benzylthio)malonaldehyde. The method can be applied for the effective multi-gram synthesis of diverse pyrazole-containing sulfonyl chlorides which are mostly not available by other methods.
    Molecular Diversity 09/2015; DOI:10.1007/s11030-015-9633-z
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    ABSTRACT: A facile and convenient novel method is reported for the synthesis of substituted 4H-thiopyrans by reacting aldehydes, malononitrile, carbon disulfide, and primary amines at room temperature in the presence of triethylamine as a catalyst. This reaction affords the desired products in high purity and has advantages of excellent yields, simple work-up procedure, and short reaction time.
    Molecular Diversity 09/2015; DOI:10.1007/s11030-015-9634-y
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    ABSTRACT: Alzheimer's disease (AD) is a complex neurodegenerative condition with several target proteins contributing to its etiology. With 35.6 million cases worldwide documented in 2011, AD constitutes a devastating health, political, economic, and social problem for all nations. The cases are expected to increase beyond 107 million in 2050; unless an advanced therapy having a capability to delay the disease progression is developed. The curative paradigm of one-compound one-target that has been followed so far has not reached the desired mark. The research focus moved towards single molecule targeting two or more pathogenic mechanisms involved in neuronal death. Over the last few years, medicinal chemists have been paying attention to the design and synthesis of the hybrid molecules that are comprised of two pharmacophores from well-established chemical scaffolds endowed with requisite biological activities in a single entity. The hybrid-based approach has grown to be a central point in the medicinal chemistry field. Various important pharmacophores used for AD have been combined with selected biologically active molecules to get homo- and heterodimers with improved efficacy with additional supplementary actions. This review summarizes the pathogenesis of AD and various progress in the design of hybrid molecules based on the one-compound-various targets paradigm for AD therapy.
    Molecular Diversity 09/2015; DOI:10.1007/s11030-015-9628-9
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    ABSTRACT: Monoclonal antibodies (MAb's) have become one the most powerful therapeutic and diagnostic tools in modern medicine. Some estimates target the worldwide market of MAb's on the order of $125 billion in the next four years. Recent advances in molecular biology, immunology, and development of robust production platforms will drive the development of more MAb's suitable to treat an ever increasing number of disease states. This circumstance combined with the fact that many of the original antibody therapies from the 1980s and 1990s will soon be coming off patent will attract a great deal of investment in the development of larger industrial facilities to increase monoclonal antibody to meet increasing demand. In this review, the present state of the science that underlies the development of new antibodies therapies in Chinese hamster ovary cells combined with a description of the present challenges facing the industry in terms of the limitations of output and compliance with current good manufacturing practices and FDA regulations. Also addressed are future challenges to overcome production bottlenecks, description of critical quality control attributes particular to antibodies, and detailed treatment of scale-up considerations.
    Molecular Diversity 08/2015; DOI:10.1007/s11030-015-9625-z
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    ABSTRACT: PDE4 inhibitors have been largely studied because of their promising therapeutic effects concerning inflammation and neurodegenerative dysfunctions, such as depression, schizophrenia and Alzheimer's diseases. In this context, the PDE4B isoform proved to be particularly involved in the activation of inflammatory responses, while the PDE4D subfamily is more associated with neuropathologies. The clinical use of PDE4 inhibitors was restricted by the presence of prominent side effects probably due to their non-specific action across the different isoforms. Therefore, this work deals with the development of 3D-QSAR models, supported by molecular docking studies, to identify the key requirements underlying selective PDE4B or PDE4D inhibition. The results highlighted the ligand-based approach as a promising tool to guide the rational design of novel PDE4 inhibitors endowed with high affinity and selectivity profiles. The alignment of compound 1-85 and the model A statistical results are depicted.
    Molecular Diversity 08/2015; DOI:10.1007/s11030-015-9631-1
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    ABSTRACT: Carbanions of phenylacetonitriles, benzyl sulfones, and dialkyl benzylphosphonates add nitroarenes at the ortho-position to the nitro group to form [Formula: see text]-adducts that, upon treatment with trialkylchlorosilane and additional base (t-BuOK or DBU), transform into 3-aryl-2,1-benzisoxazoles in moderate-to-good yields.
    Molecular Diversity 08/2015; 19(4). DOI:10.1007/s11030-015-9627-x
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    ABSTRACT: Diverse naphtho[1,2-b]furan-3-carboxamide derivatives 12a-12q were synthesized in high yield via the novel [Formula: see text]-catalyzed formal [3[Formula: see text]2] cycloaddition of 1,4-naphthoquinones with [Formula: see text]-ketoamides as the key step. This methodology offers several advantages, such as environmentally benign character, the use of a mild catalyst, high yields, and ease of handling. The synthesized compounds were screened for their tyrosinase inhibitory, antioxidant, and antibacterial activities. The results showed that compound 12c exhibited excellent tyrosinase inhibitory activity with an [Formula: see text] of [Formula: see text], which is comparable to that of kojic acid ([Formula: see text]). Compounds 12a, 12b, and 12i displayed moderate antioxidant activities in a DPPH assay. Compound 12m showed good activity against S. aureus ([Formula: see text]), and compound 12p was found to be active against E. coli ([Formula: see text]).
    Molecular Diversity 08/2015; DOI:10.1007/s11030-015-9630-2
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    ABSTRACT: A series of novel 4-(substituted-phenyl) tetrazolo[1,5-a]quinazolin-5(4H)-ones (6a-x) and their derivatives with tetrazole and other heterocyclic substituents (7-14) were designed, synthesized, and evaluated for antidepressant activities in mice. Pharmacological tests showed that three compounds (6l, 6u, and 6v) at a dose of 50 mg/kg significantly reduced the immobility time in the forced swimming test. The most active compound was 4-(p-tolyl)tetrazolo[1,5-a]quinazolin-5(4H)-one (6v), which decreased the immobility time by 82.69 % at 50 mg/kg. Moreover, 6v did not affect spontaneous activity in the open-field test, and this effect was comparable to the antidepressant effect of fluoxetine. Noradrenaline (NE) and 5-hydroxytryptamine (5-HT) levels in the brains of mice in the test sample groups significantly increased at a dose of 50 mg/kg compared with that in the control group. The monoamine oxidase (MAO) level of all test groups was reduced, but this result was not significantly different between the groups. Therefore, we can infer that their underlying mechanisms may involve the regulation of brain monoamine neurotransmitter homeostasis, based on the detected content of NE, 5-HT, and MAO in mouse brain tissue.
    Molecular Diversity 08/2015; DOI:10.1007/s11030-015-9623-1
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    ABSTRACT: 2-Chloro-3-formyl quinoline has been applied as an aldehyde moiety in the Groebke-Blackburn-Bienaymé multi-component reaction with isocyanides, 2-aminoazines, and 2-aminoazole to afford the desired adducts which are amenable for further cyclization on the basis of Ullmann-type coupling. The copper iodide-mediated intramolecular C-N bond formation in the second step gave an easy access to a series of imidazo[4[Formula: see text],5[Formula: see text]:4,5]pyrrolo[2,3-b]quinoline derivatives in moderate to good yields.
    Molecular Diversity 08/2015; DOI:10.1007/s11030-015-9622-2
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    ABSTRACT: Chronic hepatitis C virus infection represents a serious global public health problem, typically resulting in fibrosis, cirrhosis, and ultimately hepatocellular carcinoma. Based on our previous discovery of lead compound 2 (Liu et al. J Med Chem 54:5747-5768, 2011), 35 new quinoxalinone derivatives were explored in this study. Outline of the structure-activity relationships (SARs) revealed that compound BH6870 (36) showed high anti-HCV potency ([Formula: see text]) and a good cell safety index (SI [Formula: see text]). SARs analysis indicated that quinoxalin-2(1H)-one containing a 4-aryl-substituted thiazol-2-amine moiety was optimal for antiviral activity. Introducing a hydrogen-bond acceptor (such as ester or amide group) at the C-3 position of quinoxalin-2(1H)-one was beneficial for the antiviral potency, and especially, N,N-disubstituted amide was far superior to N-monosubstituted amide. Incorporation of more than one halogen (fluorine or chlorine atom) or a strong electron-withdrawing group on the benzene ring of the thiazole-phenyl moiety might reduce electron atmosphere density further and resulted in a dramatical loss of activity. The NH-group of the lactam moiety was clearly required for anti-HCV activity. Design and synthesis of quinoxalin-2(1H)-one derivatives as new non-nucleoside small-molecule HCV inhibitors. BH6870 (36), showing higher antiviral potency and a good cell safety index, was identified.
    Molecular Diversity 07/2015; DOI:10.1007/s11030-015-9610-6
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    ABSTRACT: The direct coupling of 3-iodochromen-4-ones with heteroaromatics has been achieved via a photochemical reaction. A variety of 3-heteroarylchromones was obtained in moderate to good yields from the corresponding 3-iodochromen-4-ones and heteroaromatics, such as pyrrole, furan, thiophene, and benzofuran. The reaction worked smoothly in acetonitrile under a mercury lamp without any additives, providing a catalyst- and base-free approach for the synthesis of 3-heteroarylchromones.
    Molecular Diversity 07/2015; DOI:10.1007/s11030-015-9620-4
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    ABSTRACT: A new series of 9(10H)-acridinone-1,2,3-triazole derivatives were designed, synthesized and evaluated for their cytotoxic activity against human breast cancer cell lines. The acridone skeleton was prepared through the Ullman condensation of 2-bromobenzoic acid and anilines. Subsequently, it was functionalized with propargyl bromide. Then, a click reaction of the latter compound and in situ prepared 1-(azidomethyl)-4-methoxybenzene derivatives led to the formation of the desired triazole products. Finally, all products were investigated for their capability to cause cytotoxicity against MCF-7, T-47D, and MDA-MB-231 cell lines. Among them, 2-methoxy-10-((1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)acridin-9(10H)-one 8c exhibited the most potency [Formula: see text] against MCF-7 cells, being more potent than etoposide [Formula: see text]. Also, apoptosis induced by compound 8c was confirmed via acridine orange/ethidium bromide and Annexin V-FITC/propidium iodide (PI) double staining.
    Molecular Diversity 07/2015; DOI:10.1007/s11030-015-9616-0
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    ABSTRACT: Cyclophilin D (CypD) is an important regulatory protein involved in mitochondrial membrane permeability transition and cell death. Further, the mitochondrial CypD-p53 axis is an important contributor to necroptosis, a form of programmed necrosis, involved in various cardiovascular and neurological disorders. The CypD ligand, Cyclosporin A (CsA), was identified as an inhibitor of this interaction. In this study, using computational methods, we have attempted to model the CypD-p53 interaction in order to delineate their mode of binding and also to disclose the molecular mechanism, by means of which CsA interferes with this interaction. It was observed that p53 binds at the CsA-binding site of CypD. The knowledge obtained from this modelling was employed to identify novel CypD inhibitors through structure-based methods. Further, the identified compounds were tested by a similar strategy, adopted during the modelling process. This strategy could be applied to study the mechanism of protein-protein interaction (PPI) inhibition and to identify novel PPI inhibitors.
    Molecular Diversity 07/2015; 19(4). DOI:10.1007/s11030-015-9612-4
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    ABSTRACT: Fourteen novel pterostilbene (1) and [Formula: see text]-methoxy pterostilbene (2) Mannich base derivatives (3-16) were synthesized via the microwave-assisted Mannich reaction of 1 or 2 with various secondary amines and formaldehyde. The regioselectivity of the reaction occurred preferentially at [Formula: see text] position of the B-ring of stilbene. The biological testing results showed that all the target compounds exhibit antiproliferative activity against Hela cells from [Formula: see text]-[Formula: see text]. Compounds 1-3, 7, 11-13, and 16 displayed higher (lower [Formula: see text] values) activity than the positive control cisplatin [Formula: see text].
    Molecular Diversity 07/2015; DOI:10.1007/s11030-015-9615-1