hERGscreen News & Highlights

Meetings, Conferences & Workshops


Dissemination

Annual meeting 2013 & 2^nd workshop

5. Sept. 2013 in Münster/Germany

Annual meeting called and organized by the coordinator Prof. J.M. Rollinger and Mag. C.E. Mair

Workshop organized by Prof. A.L. Skaltsounis and Dr. M. Halabalaki

'Bioactivity prospection from natural sources'

 Agenda

Kick-off meeting & 1^st workshop in Innsbruck/Austria

4.-5. November 2012

University of Innsbruck, CCB, Innrain 80-82

Meeting called and organized by the coordinator Prof. Dr.  J.M. Rollinger and Prof. Dr. A. Marston

'Risk assessment of Phytopharmaceuticals'

Agenda

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Dissemination

Public information

hERGscreen - How safe are botanicals? Judith. M. Rollinger. In Newsletter of the Society for Medicinal Plant and Natural Product Research, July 2013, No.1, p.6

Wie sicher sind Naturstoffe? In Mitteilungsblatt der Universität Innsbruck Wissensbilanz Studienjahr 2011/2012 Ausgegeben am 30. April 2012, S 82
http://www.uibk.ac.at/service/c101/mitteilungsblatt/2011-2012/23/mitteil.pdf

Pharmakognosie in Wien: Die neue Professorin: Univ.-Prof. Dr. Judith Rollinger: Interview, Österreichische Apothekerkammer (ÖAZ) 26,  68. Jg, 22. Dezember 2014 I ÖAZ, 58-59

Publications in peer reviewed international journals

• Experimentally validated hERG pharmacophore models as cardiotoxicity prediction tools. Kratz JM, Schuster D, Edtbauer M, Saxena P, Mair CE, Kirchebner J, Matuszczak B, Baburin I, Hering S, Rollinger JM (2014); J. Chem. Inf. Mod.; doi: 10.1021/ci5001955

• Natural products as potential hERG channel inhibitors – Outcomes from a screening of widely used herbal medicines and edible plants. Schramm A, Jähne EA, Hering S, Hamburger M (2014); Planta Med. 08/2014, 80(12):1045-50. doi: 10.1055/s-0034-1382907

• Natural products as potential hERG channel inhibitors – screening of plant-derived alkaloids. Schramm A, Saxena P, Chlebek J, Cahlikova L, Baburin I, Hering S, Hamburger M (2014); Planta Med. 06/2014; 80(8-9):740-6. doi: 10.1055/s-0034-1368590

• HPLC-based activity profiling for hERG channel inhibitors in the South African medicinal plant Galenia africana. Du K, De Mieri M, Saxena P, Phungula KV, Zietsman PC, Hering S, van der Westhuizen JH, Hamburger M (2015); Planta Med.; doi: 10.1055/s-0035-1545929

• Human ether-à-go-go (hERG) channel blocking aporphine alkaloids from lotus leaves and their quantitative analysis in dietary weight loss supplements. Grienke U, Mair CE, Saxena P, Baburin I, Scheel O, Ganzera M, Schuster D, Hering S, Rollinger JM (2015); J. Agric. Food Chem.; doi: 10.1021/acs.jafc.5b01901

• hERG channel inhibitory daphnane diterpenoid orthoesters and polycephalones A and B with unprecedented skeletons from Gnidia polycephala. De Mieri M, Du K, Neuburger M, Saxena P, Zietsman PC, Hering S, van der Westhuizen JH, Hamburger M (2015); J. Nat. Prod.; doi: 10.1021/acs.jnatprod.5b00344

• hERG channel blocking ipecac alkaloids identified by combined in silico-in vitro screening. Kratz JM, Mair CE, Oettl SK, Saxena P, Scheel O, Schuster D, Hering S, Rollinger JM (2016); in press (Planta Med.)

• Pharmacokinetics of hERG channel blocking voacangine in Wistar rats applying a validated LC-ESI-MS/MS method. Mair CE, Silva CM, Grienke U,  Carreno F, Zimmerman ES, Kratz JM, Araujo BV, Costa TD, Rollinger JM (2016); in press (Planta Med.)

• Phytochemical and pharmacological investigation of Aristolochia triangularis: a highly consumed botanical with multiple activities. Oliveira SQ, Kratz JM, Chaves VC, Guimaraes T, Costa D, Dimitrakoudi S, Vontzalidou A, Bordignon A, Simionato CP, Steindel M, Reginatto FH, Simoes CM, Schenkel EP (2016); submitted

Contributions at international conferences

Pre-clinical pharmacokinetics of the hERG blocking iboga alkaloid voacangine from Voacanga africana. Mair CE, Silva CM, Grienke U, Carreno F, Dalla Costa T, Rollinger JM: Oral presentation at the 63^rd GA conference Budapest/HU, Aug. 24, 2015.

An investigation into consumed South African plant species as potential hERG channel blockers.Wilhelm A, van der Westhuizen JH, Phungula KV, van Rensburg E, Zietsman PC, Hering S. Poster presentation at the 63^rd GA conference Budapest/HU, 2015.

hERG channel inhibitors in South African medicinal plants with the focus on Boophane disticha (Amaryllidaceae) bulbs. van Rensburg E, Zietsman PC, Wilhelm A, van der Westhuizen JH, Bonnet SL. Poster presentation at the IPUF-SEB 2015, Clanwilliam/South Africa, 28.6.-2.6.2015

How safe are our botanicals? A hERG related risk assessment. Judith Rollinger: Plenary lecture at the 1st Symposium of the Post-graduation Programme in Pharmacy at UFSC in Florianópolis, Santa Catarina/BR, Sep. 11, 2014

Nelumbo nucifera alkaloids as hERG channel blockers: How dangerous are lotus herbal supplements? Grienke, U.; Mair, C.E., Saxena, P.; Kratz, J.M.; Baburin, I.; Ganzera, M.; Schuster, D.; Hering, S.; Rollinger, J.M.  

• Plenary lecture at the 1st Symposium of the Post-graduation Programme in Pharmacy at UFSC in Florianópolis, Santa Catarina/BR, Sep. 11, 2014
• Oral presentation at the PK/PD Seminar of the Post-graduation Programme in Pharmacy at UFRGS in Porto Alegre, Rio Grande do Sul/BR, Oct. 1, 2014

The ‘Lotus Leave Diet’ – A life-threatening experience? hERG channel blocking aporphine alkaloids from Nelumbo nucifera Gaertn. Grienke, U.; Mair, C.E., Saxena, P.; Kratz, J.M.; Baburin, I.; Schuster, D.; Hering, S.; Rollinger, J.M.: Oral presentation at the 62nd GA conference, Guimaraes/PT, Sep. 3, 2014

hERG pharmacophore models as cardiac toxicity prediction tools. Jadel Müller-Kratz, Daniela Schuster, Michael Edtbauer, Priyanka Saxena, Christina E. Mair, Julia Kirchebner, Barbara Matuszczak, Igor Baburin, Steffen Hering, Judith M. Rollinger: Oral presentation at the  II Simposio Internacional “Nuevos fármacos de origen natural y sintético” (Second international symposium on new drugs of natural and synthetic origin); Universidad de Antioquia, Medellin/Colombia, Mar. 21, 2014

hERG pharmacophore models as cardiac toxicity prediction tools. Jadel Müller-Kratz,Daniela Schuster, Michael Edtbauer, Priyanka Saxena, Christina E. Mair, Julia Kirchebner, Barbara Matuszczak, Igor Baburin, Steffen Hering, Judith M. Rollinger (2014): Oral presentation at the  II Simposio Internacional “Nuevos fármacos de origen natural y sintético” (Second international symposium on new drugs of natural and synthetic origin); Universidad de Antioquia, Medellin/Colombia, Mar. 21, 2014

Finding hERG-Blockers among Natural Products: Virtual Screening Workflow and Experimental Validation of Hits. Daniela Schuster, Michael Edtbauer, Jadel M. Kratz, Christina E. Mair, Steffen Hering, Judith M. Rollinger (2013): Poster Presentation at the 5^th ÖGMBT Life Science Meeting, Innsbruck/AT, Sept. 26, 2013

Pharmacophore-based virtual screening as a prioritization tool to assess mechanism-based cardiotoxic effects of small organic molecules. Daniela Schuster, Michael Edtbauer, Jadel M. Kratz, Christina E. Mair, Steffen Hering, Judith M. Rollinger (2013): Oral Presentation at the Eurotox 2013, Interlaken/CH, Sept. 3, 2013

Pharmacophore-based identification of novel hERG channel blockers of natural origin – Development of a virtual screening workflow and experimental validation. Jadel M. Kratz, Michael Edtbauer, Christina E. Mair, Steffen Hering, Daniela Schuster, Judith M. Rollinger (2013): Oral presentation at the 61^st International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research (GA), Münster/G, Sept. 3, 2013

Finding hERG-Blockers among Natural Products: Virtual Screening Workflow and Experimental Validation of Hits. Daniela Schuster, Michael Edtbauer, Jadel M. Kratz, Christina E. Mair, Steffen Hering, Judith M. Rollinger (2013): Oral Presentation at the Congress Trends in natural product research: a young scientist meeting of PSE and ÖPhG, Obergurgl/AT, July 24, 2013

Guest lectures

Approaches for the identification of natural hERG blockers and antiinfluenza natural products. Judith M. Rollinger: lecture at the Department of Pharmaceutical Sciences, Postgraduate Program, Universidade Federal de Santa Catarina, Florianópolis/BR, Feb. 23, 2016

In vitro and in vivo proarrhythmic effects of dehydroevodiamine isolated from Evodia rutaecarpa. Steffen Hering: 4^th hERG screen workshop 'Bioactivity/Drug Monitoring' at the Department of Pharmacognosy, University of Vienna, Vienna/AT, Jan. 14, 2016

Anticancer Drugs and Biomarkers of Efficacy: MS-based approaches for the evaluation of peptide drug conjugates. Konstantin Tamvakopoulos: 4^th hERG screen workshop 'Bioactivity/Drug Monitoring' at the Department of Pharmacognosy, University of Vienna, Vienna/AT, Jan. 14, 2016

Empirie und theorie in der Bioaktivitätsfindung. Judith M. Rollinger: invited lecture of the DPhG (Deutsche pharmazeutische Gesellschaft), Münster/DE, Jan 12, 2016

Streamlining Drug Development Using PK/PD Modeling and Simulation. Hartmut Derendorf: seminar at the Department of Pharmacognosy, University of Vienna, Vienna/AT, May 07, 2015

hERG-related in vitro results from Brazilian plant extracts. Eloir P. Schenkel: seminar at the Department of Pharmacognosy, University of Vienna, Vienna/AT, Mar. 30, 2015

Cardiac safety liabilities of botanicals: the hERGscreen project. Judith M. Rollinger: lecture at the Department of Pharmaceutics, College of Pharmacy, Gainesville, University of Florida/US, Feb. 2, 2015

Virtual screening in natural product research: principles and case studies. Daniela Schuster: Institute Seminar at the Faculty of Pharmacy, Universidade de Sao Paulo, Riberaio Preto/ BR, May 8, 2014

Virtual screening for bioactivity predictions: basics and applications in lead discovery and toxicity assessment. Daniela Schuster: Institute Seminar at the Department of Pharmaceutical Sciences, Postgraduate Program, Universidade Federal de Santa Catarina, Florianópolis/BR, Apr. 23, 2014

In silico driven pharmacognosy to access Nature’s treasures. Judith M. Rollinger: invited lecture at the Department of Pharmaceutical Biology, University of Basel/ CH, Mar. 5, 2014

Bioactive compounds from Nature’s laboratory. Judith M. Rollinger: lecture at the Department of Pharmaceutics, College of Pharmacy, Gainesville, University of Florida/US, Feb. 27, 2014

Profiling for desirable and unwanted pharmacological activities in plant extracts. Matthias Hamburger: Seminar at the Faculty of Natural Sciences, University of the Free State, Blomfontein/ZA, Jan. 30, 2014

Analysis and structure elucidation of proanthocyanidins. Jan H. van der Westhuizen: Lecture at the Institute of Pharmacy/Pharmacognosy, University of Innsbruck, Innsbruck/AT, Oct. 29, 2013; at the Department of Pharmaceutical Biology, University of Basel/ CH, Nov. 5, 2013; at the Faculty of Pharmacy, Department of Pharmacognosy and Natural Products Chemistry, National and Kapodistrian University of Athens/EL, Nov. 12, 2013

Library-based discovery of natural product leads. Matthias Hamburger: Lecture at the Institute of Pharmacy/Pharmacognosy, University of Innsbruck, Innsbruck/AT, Nov. 11, 2013

Side effect predictions using pharmacophore models – General concept and case study on hERG blockers. Daniela Schuster: Lecture at the Institute of Pharmacy, Freie Universität Berlin, Berlin/DE, Oct. 29, 2013

Chemical and neuropharmacological evaluation of the South American Passiflora species. Andressa Gazola: Lecture at the Institute of Pharmacy/Pharmacognosy, University of Innsbruck, Innsbruck/AT, Sep. 23, 2013

Chemische Untersuchungen mit Mate, Passiflora und der Pflanzendroge Taguya. Eloir P. Schenkel: Lecture at the Institute of Pharmacy/Pharmacognosy, University of Innsbruck, Innsbruck/AT, Aug. 28, 2013

Overview and current status of the hERGscreen project. Jadel Müller-Kratz: Short Seminar at the Department of Pharmaceutical Sciences, Laboratory of Pharmacognosy, Laboratory of Pharmaceutical Chemistry, and Laboratory of Applied Virology, Universidade Federal de Santa Catarina, Florianopolis/BR, May 7, 2013

Development and validation of a virtual screening workflow for new hERG channel blockers identification. Jadel Müller-Kratz: Lecture at the Institute of Pharmacy/Pharmacognosy, University of Innsbruck, Innsbruck/AT, March 22, 2013

Virtual screening of hERG blockers - Construction and theoretical validation of ligand-based pharmacophores Jadel Müller-Kratz: Lecture at the Department of Pharmacology and Toxicology, University of Vienna, Vienna/AT, Feb. 20, 2013

Pre-clinical cardiac safety testing of drugs and phyto-pharmaceuticals. Steffen Hering: Lecture at the Institute of Pharmacy/Pharmacognosy, University of Innsbruck, Innsbruck/AT, Nov. 5, 2012

Workshops

Kick-off Meeting and 1^st hERGscreen workshop, Risk assessment of Phytopharmaceuticals organized by J.M. Rollinger (UIBK) & A. Marston (UFS), Innsbruck, Austria, Nov. 4/5, 2012

2^nd hERGscreen workshop, Bioactivity prospection from natural sources organized by A.L. Skaltsounis and M. Halabalaki (NKUA), Munster, Germany, Sept. 5, 2013

3^rd hERGscreen workshop, Modern analytical methods in natural products investigations organized by E.P. Schenkel (UFSC), Florianopolis, Brazil, Sept.12, 2014

4^th hERGscreen workshop, Bioactivity/Drug Monitoring organized by J.M. Rollinger, S. Hering and C.E. Mair (UNIVIE), Vienna/Austria, Jan. 14/15, 2016

PhD- and diploma theses

• HPLC-based activity profiling for hERG channel inhibitors from Galenia africana and Gnidia polycephala, and counter-current chromatographic isolation of antimicrobials from Colophospermum mopane. PhD thesis of Kun Du, under the supervision of Prof. J.H. van der Westhuizen, University of the Free State, Bloemfontein/South Africa, Dec. 2015
  

• Modulation of ion channels by natural products- identification of hERG channel inhibitors and GABA_A receptor ligands from plant extracts. PhD thesis of Anja Schramm, under supervision of Prof. M. Hamburger, University of Basel/Switzerland, 2014

• Studies towards the development of African phytomedicines from Combretum apiculatum and Galenia africana. Master thesis of Khanya Phungula under the supervision of Prof. J.H. van der Westhuizen, University of the Free State, Bloemfontein/South Africa, Dec. 2015

• Isolation and identification of alkaloids from ipecacuanha roots with potential cardiotoxic interaction to the hERG channel. Diploma thesis of Catharina Willi under the supervision of Prof. J.M. Rollinger, University of Innsbruck/Austria, 2014

• Search for hERG channel interacting compounds from natural sources and isolation of active compounds from Nelumbo nucifera Gaertn. Diploma thesis of Stefanie Lehmann under supervision of Prof. J.M. Rollinger, University of Innsbruck/Austria, 2013