39 results match your criteria Inpharma Weekly[Journal]

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Reactive Oxygen Species Generation in Human Cells by a Novel Magnetic Resonance Imaging Contrast Agent.

J Toxicol 2018 26;2018:6362426. Epub 2018 Mar 26.

Department of Radiation Oncology, The University of Texas MD Anderson Cancer Center, Houston, TX, USA.

The novel positive-contrast magnetic resonance imaging (MRI) marker C4 consists of an aqueous solution of cobalt chloride (CoCl) complexed with the chelator N-acetylcysteine (NAC). We evaluated whether the presence of C4 or its components would produce reactive oxygen species (ROS, including hydroxyl, peroxyl, or other reactive oxygen species) in cultured cells. Human cancer or normal cells were incubated with 1% (w/v) CoCl·6HO or 2% NAC or a combination of both (1% CoCl·6HO : 2% NAC in an aqueous solution, abbreviated as Co : NAC) in the presence or absence of HO. Read More

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March 2018
1 Read

The Binding Mode of a Tau Peptide with Tubulin.

Angew Chem Int Ed Engl 2018 Mar 22;57(12):3246-3250. Epub 2018 Feb 22.

German Center for Neurodegenerative Diseases (DZNE), Von-Siebold Strasse 3a, 37075, Goettingen, Germany.

The microtubule-associated protein Tau promotes the polymerization of tubulin and modulates the function of microtubules. As a consequence of the dynamic nature of the Tau-tubulin interaction, the structural basis of this complex has remained largely elusive. By using NMR methods optimized for ligand-receptor interactions in combination with site-directed mutagenesis we demonstrate that the flanking domain downstream of the four microtubule-binding repeats of Tau binds competitively to a site on the α-tubulin surface. Read More

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March 2018
2 Reads

Structure-Based Design of Scaffolds Targeting PDE10A by INPHARMA-NMR.

J Chem Inf Model 2017 06 12;57(6):1488-1498. Epub 2017 Jun 12.

Centre of Biomolecular Drug Research and Institute of Organic Chemistry, Leibniz Universität Hannover , Schneiderberg 38, D-30167 Hannover, Germany.

Phosphodiesterases (PDE) hydrolyze both cyclic AMP and GMP (cAMP/cGMP) and are responsible for the regulation of their levels in a multitude of cellular functions. PDE10A is expressed in the brain and is a validated target for both schizophrenia and Huntington disease. Here, we address the identification of novel chemical scaffolds that may bind PDE10A via structure-based drug design. Read More

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June 2017
18 Reads

Nanodiscs for INPHARMA NMR Characterization of GPCRs: Ligand Binding to the Human A2A Adenosine Receptor.

Angew Chem Int Ed Engl 2017 May 21;56(21):5750-5754. Epub 2017 Apr 21.

Institute of Pharmacy, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 8, 72076, Tübingen, Germany.

G-protein-coupled-receptors (GPCRs) are of fundamental importance for signal transduction through cell membranes. This makes them important drug targets, but structure-based drug design (SBDD) is still hampered by the limitations for structure determination of unmodified GPCRs. We show that the interligand NOEs for pharmacophore mapping (INPHARMA) method can provide valuable information on ligand poses inside the binding site of the unmodified human A adenosine receptor reconstituted in nanodiscs. Read More

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May 2017
11 Reads

Antimalarial Pyrido[1,2-a]benzimidazoles: Lead Optimization, Parasite Life Cycle Stage Profile, Mechanistic Evaluation, Killing Kinetics, and in Vivo Oral Efficacy in a Mouse Model.

J Med Chem 2017 02 7;60(4):1432-1448. Epub 2017 Feb 7.

Department of Chemistry, University of Cape Town , Rondebosch 7701, South Africa.

Further structure-activity relationship (SAR) studies on the recently identified pyrido[1,2-a]benzimidazole (PBI) antimalarials have led to the identification of potent, metabolically stable compounds with improved in vivo oral efficacy in the P. berghei mouse model and additional activity against parasite liver and gametocyte stages, making them potential candidates for preclinical development. Inhibition of hemozoin formation possibly contributes to the mechanism of action. Read More

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February 2017
35 Reads
2 Citations
5.450 Impact Factor

Discovery and optimisation studies of antimalarial phenotypic hits.

Eur J Med Chem 2015 Oct 9;103:530-8. Epub 2015 Sep 9.

Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee, Sir James Black Centre, Dundee DD1 5EH, UK. Electronic address:

There is an urgent need for the development of new antimalarial compounds. As a result of a phenotypic screen, several compounds with potent activity against the parasite Plasmodium falciparum were identified. Characterization of these compounds is discussed, along with approaches to optimise the physicochemical properties. Read More

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October 2015
6 Reads

Overview of Probing Protein-Ligand Interactions Using NMR.

Curr Protoc Protein Sci 2015 Aug 3;81:17.18.1-24. Epub 2015 Aug 3.

Institut des Sciences Analytiques, UMR5280 CNRS, Ecole Nationale Supérieure de Lyon, Villeurbanne, France.

Nuclear magnetic resonance (NMR) is a powerful technique for the study and characterization of protein-ligand interactions. In this unit we review both experiments where the NMR spectrum of the protein is observed (protein-observed NMR experiments) and those where the NMR spectra of the ligand is observed (ligand-observed NMR experiments) for the identification of binding partners, the measurement of protein-ligand affinity, the design of molecules that are active against biological targets such as proteins, and the assessment of the binding modes of the ligands. Ligand-observed methods discussed in this unit are Nuclear Overhauser Effect (NOE)-based approaches, with well-known experiments such as the Saturation Transfer Difference, Water-Ligand Observed via Gradient Spectroscopy (WaterLOGSY), and transferred-Nuclear Overhauser Effect Spectroscopy (tr-NOESY) experiments, and also the INPHARMA experiment. Read More

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August 2015
7 Reads

On-the-Fly Integration of Data from a Spin-Diffusion-Based NMR Experiment into Protein-Ligand Docking.

J Chem Inf Model 2015 Sep 14;55(9):1962-72. Epub 2015 Aug 14.

Institute of Pharmacy, Eberhard Karls Universität Tübingen , Auf der Morgenstelle 8, 72076 Tübingen, Germany.

INPHARMA (interligand nuclear Overhauser enhancement for pharmacophore mapping) determines the relative orientation of two competitive ligands in the protein binding pocket. It is based on the observation of interligand transferred NOEs mediated by spin diffusion through protons of the protein and is, therefore, sensitive to the specific interactions of each of the two ligands with the protein. We show how this information can be directly included into a protein-ligand docking program to guide the prediction of the complex structures. Read More

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September 2015
17 Reads

A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles.

Angew Chem Int Ed Engl 2015 May 15;54(22):6511-5. Epub 2015 Apr 15.

Abteilung für NMR-basierte Strukturbiologie, Max-Planck-Institut für biophysikalische Chemie, Am Fassberg 11, 37077 Göttingen (Germany).

Structure-based drug design (SBDD) is a powerful and widely used approach to optimize affinity of drug candidates. With the recently introduced INPHARMA method, the binding mode of small molecules to their protein target can be characterized even if no spectroscopic information about the protein is known. Here, we show that the combination of the spin-diffusion-based NMR methods INPHARMA, trNOE, and STD results in an accurate scoring function for docking modes and therefore determination of protein-ligand complex structures. Read More

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May 2015
10 Reads

Binding mode characterization of novel RNA polymerase inhibitors using a combined biochemical and NMR approach.

ACS Chem Biol 2014 Nov 26;9(11):2656-63. Epub 2014 Sep 26.

Department of Drug Design and Optimization and §Department of Microbial Natural Products, Helmholtz-Institute for Pharmaceutical Research Saarland (HIPS) , Campus C23, 66123 Saarbrücken, Germany.

Bacterial RNA polymerase (RNAP) represents a validated target for the development of broad-spectrum antibiotics. However, the medical value of RNAP inhibitors in clinical use is limited by the prevalence of resistant strains. To overcome this problem, we focused on the exploration of alternative target sites within the RNAP. Read More

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November 2014
9 Reads

Structure-based approach to improve a small-molecule inhibitor by the use of a competitive peptide ligand.

Angew Chem Int Ed Engl 2014 Mar 30;53(10):2597-601. Epub 2014 Jan 30.

Biomedicinal Information Research Center (BIRC), National, Institute of Advanced Industrial Science and Technology (AIST), 2-3-26 Aomi, Koto-ku, Tokyo 135-0064 (Japan); Japan Biological Informatics Consortium (JBIC), 2-3-26 Aomi, Koto-ku, Tokyo 135-0064 (Japan).

Structural information about the target-compound complex is invaluable in the early stage of drug discovery. In particular, it is important to know into which part of the initial compound additional interaction sites could be introduced to improve its affinity. Herein, we demonstrate that the affinity of a small-molecule inhibitor for its target protein could be successfully improved by the constructive introduction of the interaction mode of a competitive peptide. Read More

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March 2014
3 Reads

Synthetic cationic antimicrobial peptides bind with their hydrophobic parts to drug site II of human serum albumin.

BMC Struct Biol 2014 Jan 23;14. Epub 2014 Jan 23.

The Norwegian Structural Biology Centre, Department of Chemistry, Faculty of Science and Technology, University of Tromsø, NO-9037 Tromsø, Norway.

Background: Many biologically active compounds bind to plasma transport proteins, and this binding can be either advantageous or disadvantageous from a drug design perspective. Human serum albumin (HSA) is one of the most important transport proteins in the cardiovascular system due to its great binding capacity and high physiological concentration. HSA has a preference for accommodating neutral lipophilic and acidic drug-like ligands, but is also surprisingly able to bind positively charged peptides. Read More

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January 2014
5 Reads

Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence.

J Med Chem 2013 Sep 21;56(17):6761-74. Epub 2013 Aug 21.

Department of Drug Design and Optimization, Helmholtz-Institute for Pharmaceutical Research Saarland , Campus C2.3, 66123 Saarbrücken, Germany.

The human pathogen Pseudomonas aeruginosa employs alkyl quinolones for cell-to-cell communication. The Pseudomonas quinolone signal (PQS) regulates various virulence factors via interaction with the transcriptional regulator PqsR. Therefore, we consider the development of PqsR antagonists a novel strategy to limit the pathogenicity of P. Read More

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September 2013
22 Reads

Accounting for conformational variability in protein-ligand docking with NMR-guided rescoring.

J Am Chem Soc 2013 Apr 8;135(15):5819-27. Epub 2013 Apr 8.

EMBL, Structural and Computational Biology Unit, Meyerhofstrasse 1, D-69117 Heidelberg, Germany.

A key component to success in structure-based drug design is reliable information on protein-ligand interactions. Recent development in NMR techniques has accelerated this process by overcoming some of the limitations of X-ray crystallography and computational protein-ligand docking. In this work we present a new scoring protocol based on NMR-derived interligand INPHARMA NOEs to guide the selection of computationally generated docking modes. Read More

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April 2013
7 Reads

The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method.

J Biomol NMR 2012 Nov 22;54(3):245-56. Epub 2012 Sep 22.

Structural and Computational Biology Unit, European Molecular Biology Laboratory (EMBL), Heidelberg, Germany.

Protein internal motions influence observables of NMR experiments. The effect of internal motions occurring at the sub-nanosecond timescale can be described by NMR order parameters. Here, we report that the use of order parameters derived from Molecular Dynamics (MD) simulations of two holo-structures of Protein Kinase A increase the discrimination power of INPHARMA, an NMR based methodology that selects docked ligand orientations by maximizing the correlation of back-calculated to experimental data. Read More

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November 2012
2 Reads

NMR in natural products: understanding conformation, configuration and receptor interactions.

Nat Prod Rep 2012 May 29;29(5):536-54. Epub 2012 Mar 29.

European Molecular Biology Laboratory, Structural and Computational Biology Unit, Meyerhofstrasse 1, D-69117 Heidelberg.

Covering: up to 2011. Natural products are of tremendous importance in both traditional and modern medicine. For medicinal chemistry natural products represent a challenge, as their chemical synthesis and modification are complex processes, which require many, often stereo-selective, synthetic steps. Read More

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May 2012
2 Reads

The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method.

J Magn Reson 2009 Sep 12;200(1):64-73. Epub 2009 Jun 12.

European Molecular Biology Laboratory (EMBL), Structural and Computational Biology Unit, Meyerhofstrasse 1, 69117 Heidelberg, Germany.

During the process of drug discovery, INPHARMA can be used to derive the structure of receptor/lead compound complexes binding to each other with a K(d) in the microM to mM range. To be successful, the methodology needs adjustment of various parameters that depend on the physical constants of the binding event and on the receptor size. Here we present a thorough theoretical analysis of the INPHARMA interligand NOE effect in dependence of experimental parameters and physical constants. Read More

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September 2009
2 Reads

Ligand based NMR methods for drug discovery.

Front Biosci (Landmark Ed) 2009 Jan 1;14:4565-74. Epub 2009 Jan 1.

HWB-NMR, School of Cancer Sciences, University of Birmingham, Vincent Drive, Edgbaston, Birmingham, B15 2TT, UK.

NMR has a long history in drug discovery and hit-to-lead optimization. Compared to many other methods NMR has the advantage of combining structural and functional parameters to characterize protein inhibitor interactions. NMR methods used in this context can be split into two categories; protein based experiments using isotopically labelled protein samples and a broad range of ligand based methods. Read More

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January 2009
8 Reads
6 Citations

The 5S subunit of transcarboxylase interacts with free biotin as studied by transferred-NOESY and Saturation Transfer Difference NMR.

Protein Pept Lett 2008 ;15(6):624-9

Institute of Analytical Chemistry, University of Leipzig, Linnéstr. 3, D-04103 Leipzig, Germany.

The 5S subunit of transcarboxylase was expressed and purified. Recent methods of NMR spectroscopy as transferred NOESY, INPHARMA and Saturation Transfer Difference (STD) NMR were used to investigate ligand binding of free biotin to the 5S protein. The binding epitope for biotin is very similar to that obtained at the 12S subunit of transcarboxylase, however no common binding site for pyruvate and biotin exists. Read More

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September 2008
1 Read

Gerontology forum: an update on the literature.

Authors:

Drugs Aging 2006 ;23(8):681-92

New treatments and treatment protocols for diseases affecting the elderly are evolving as we strive to meet the needs of an aging society. To help you keep up to date with the latest advances worldwide on all aspects of drug therapy and patient management, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Each issue contains easy-to-read summaries of the most important research and development news, clinical studies, treatment guidelines, and pharmacoeconomic news. Read More

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January 2007

Gerontology forum: an update on the literature.

Authors:

Drugs Aging 2006 ;23(7):601-15

New treatments and treatment protocols for diseases affecting the elderly are evolving as we strive to meet the needs of an aging society. To help you keep up to date with the latest advances worldwide on all aspects of drug therapy and patient management, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Each issue contains easy-to-read summaries of the most important research and development news, clinical studies, treatment guidelines, and pharmacoeconomic news. Read More

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February 2007

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2006 ;5(4):257-63

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up to date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma WeeklyInpharma Weekly provides rapid alerts to news on drugs and drug therapy. Read More

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April 2016
11 Reads

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2006 ;5(3):193-9

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up to date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma WeeklyInpharma Weekly provides rapid alerts to news on drugs and drug therapy. Read More

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April 2016
10 Reads

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2006 ;5(2):123-9

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up to date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma WeeklyInpharma Weekly provides rapid alerts to news on drugs and drug therapy. Read More

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April 2016
8 Reads

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2006 ;5(1):59-63

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up to date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma WeeklyInpharma Weekly provides rapid alerts to news on drugs and drug therapy. Read More

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April 2016
7 Reads

Icofungipen (PLIVA).

Authors:
Clive Yeates

Curr Opin Investig Drugs 2005 Aug;6(8):838-44

InPharma, Welwyn, Hertfordshire, UK.

Icofungipen is a cyclic beta-amino acid being development by PLIVA, under license from Bayer, for the potential oral treatment of fungal infection. As of September 2002, the first phase II efficacy study was underway. Read More

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August 2005
1 Read

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2003 ;2(3):207-14

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up-to-date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Read More

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Corticosteroid-associated tendinopathies: an analysis of the published literature and spontaneous pharmacovigilance data.

Drug Saf 2005 ;28(7):633-43

Department of Pharmaceutical Sciences, Institute of Clinical Pharmacy, University of Basel, Basel, Switzerland.

Introduction And Objective: Corticosteroids may cause tendinopathies, an adverse effect that is not well known and characterised, although it was initially described more than 40 years ago. This study was conducted in order to characterise the important aspects of this adverse reaction, such as the role played by routes of corticosteroid administration, therapy duration, comedication, cumulative corticosteroid dose and underlying disease.

Study Design And Methods: Published case reports of tendinopathies that were associated with corticosteroid use were identified by a comprehensive literature search using the databases MEDLINE, Pharm-line, EMBASE, ToxFile, Adis Inpharma, International Pharmaceutical Abstracts, Drug Information Fulltext and PASCAL. Read More

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The INPHARMA method: protein-mediated interligand NOEs for pharmacophore mapping.

Angew Chem Int Ed Engl 2005 Jul;44(27):4172-5

Max-Planck-Institut für Biophysikalische Chemie, Am Fassberg 11, 37077 Göttingen, Germany.

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July 2005
2 Reads

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2002 ;1(6):415-9

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up-to-date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Read More

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May 2005
1 Read

Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2002 ;1(5):337-46

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up-to-date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Read More

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Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2002 ;1(3):195-204

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up-to-date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Read More

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Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2002 ;1(2):131-41

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up-to-date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Read More

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Opinion and evidence for treatments in endocrine disorders.

Authors:

Treat Endocrinol 2002 ;1(1):59-69

New treatments and treatment protocols for endocrine disorders are evolving rapidly, and research and development activity in the endocrinology field is high. Optimal therapy remains contentious in some areas. To help you keep up-to-date with the latest advances worldwide on all aspects of drug therapy and management of endocrine disorders, this section of the journal brings you information selected from the rapid drug news alerting service Inpharma Weekly. Read More

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Opinion and evidence in cardiovascular therapeutics.

Authors:

Am J Cardiovasc Drugs 2003 ;3(2):139-48

Cardiovascular therapeutics is a vast and evolving area for researchers, primary care physicians and specialists. To help keep you up-to-date with the latest advances worldwide on all aspects of drug therapy and management of cardiovascular disorders, this section of the journal brings you information selected from the drug therapy reporting service Inpharma Weekly. The following reports are selected from the latest issues, summarizing the most important research and development news, clinical studies, treatment guidelines, pharmacoeconomic and adverse reaction news, and expert opinion pieces published across a broad range of literature sources. Read More

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October 2008

Systematic review of randomised controlled trials of sildenafil (Viagra) in the treatment of male erectile dysfunction.

Br J Gen Pract 2001 Dec;51(473):1004-12

Department of Public Health & Epidemiology, Keele University.

Background: Sildenafil (Viagra), a new oral drug for the treatment of erectile dysfunction, was licensed for use across Europe in 1998.

Aim: To examine the effectiveness and safety of sildenafil as an oral treatment for erectile dysfunction.

Design Of Study: Systematic review and meta-analysis. Read More

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December 2001
4 Reads

Comparison of sedative recovery time after midazolam versus diazepam administration.

Crit Care Med 1994 Sep;22(9):1492-6

Department of Pharmacy, Faculty of Pharmacy, St. Boniface General Hospital, University of Manitoba, Winnipeg, Canada.

Objective: To compare the sedative recovery rate pharmacology of intravenous midazolam vs. diazepam when used for short-term sedation.

Data Sources: English-language articles were identified through a search of the MEDLINE and InPharma databases. Read More

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September 1994

Content and accuracy of abstracting services: clinical perspective.

Authors:
D J Michel

Hosp Formul 1988 Jul;23(7):596-8, 601-3, 607

Abstracts in Inpharma, deHaen Drugs-in-Use, International Pharmaceutical Abstracts (IPA), Reactions, and Clin-Alert were evaluated using the number of omissions and errors as endpoints. Fifty-one abstracts were compared with original articles by pharmacy students using a standardized checklist for drug therapy and adverse drug reaction articles. The overall omission rate per abstract was 3. Read More

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An evaluation of 'Inpharma', a drug literature abstracting service.

Authors:
A Milne

J Clin Hosp Pharm 1981 Sep;6(3):189-93

This study aimed to provide data on the characteristics of the drug literature abstracting service 'Inpharma'. Journal coverage, article yield and timeliness for a 3-year period were examined; the reliability and information content of 100 abstracts were also assessed. It was found that although 'Inpharma' is claimed to monitor a very large number of journals, over 98% of the abstracts were from 'core' journals of which there are approximately 350. Read More

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September 1981
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