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Toxicology Mechanisms and Methods Volume 24, 2014 - Issue 1
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Research Article

Novel computational study on π-stacking to understand mechanistic interactions of Tryptanthrin analogues with DNA

Raymond J. Terryn IIIDepartment of Chemistry
,
Helen W. GermanDepartment of Chemistry
,
Theresa M. KummererDepartment of Chemistry
,
Richard R. SindenDepartment of Biological Sciences, Florida Institute of Technology Melbourne, FLUSA
,
J. Clayton BaumDepartment of Chemistry
&
Mark J. NovakDepartment of ChemistryCorrespondence[email protected]
Pages 73-79 | Received 16 Sep 2013, Accepted 22 Oct 2013, Published online: 21 Nov 2013

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Safia Iqbal, Farhanaz, Roohi, Mohd. Rehan Zaheer, Krapa Shankar, Mohd. Kamil Hussain, Qamar Zia, Md. Tabish Rehman, Mohamed F. AlAjmi & Anamika Gupta. (2023) Visible-light promoted catalyst-free (VLCF) multi-component synthesis of spiro indolo-quinazolinone-pyrrolo[3,4-a]pyrrolizine hybrids: evaluation of in vitro anticancer activity, molecular docking, MD simulation and DFT studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-21.
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Articles from other publishers (7)

Mukesh Kumar Kumawat, Ramandeep Kaur & Kapil Kumar. (2023) In-Silico Prediction of Novel Fused Quinazoline Based Topoisomerase Inhibitors as Anticancer Agents. Medicinal Chemistry 19:5, pages 431-444.
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Craig A. Obafemi, Oluwaseun B. Adegbite, Olatomide A. Fadare, Ezekiel O. Iwalewa, Nusrat O. Omisore, Kayode Sanusi, Yusuf Yilmaz & Ümit Ceylan. (2021) Tryptanthrin from microwave-assisted reduction of isatin using solid-state-supported sodium borohydride: DFT calculations, molecular docking and evaluation of its analgesic and anti-inflammatory activity. Heliyon 7:1, pages e05756.
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Drew P. Harding, Laura J. Kingsley, Glen Spraggon & Steven E. Wheeler. (2020) Importance of model size in quantum mechanical studies of DNA intercalation. Journal of Computational Chemistry 41:12, pages 1175-1184.
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Joel A. Olson, Raymond J. TerrynIIIIII, Elizabeth L. Stewart, J. Clayton Baum & Mark J. Novak. (2018) New insight into the action of tryptanthrins against Plasmodium falciparum: Pharmacophore identification via a novel submolecular QSAR descriptor. Journal of Molecular Graphics and Modelling 80, pages 138-146.
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Raymond J. TerrynIIIIII, Krishnan Sriraman, Joel A. Olson, J. Clayton Baum & Mark J. Novak. (2016) In silico simulations of tunneling barrier measurements for molecular orbital-mediated junctions: A molecular orbital theory approach to scanning tunneling microscopy . Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films 34:5.
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Krishnan Sriraman, Raymond J. TerrynIIIIII, Xixuan Guo, Mark J. Novak, J. Clayton Baum & Joel A. Olson. (2016) Semiquantitative Submolecular Barrier Height Measurements of 4-Aza-8-fluorotryptanthrin Monolayers on HOPG: Orbital-Mediated Tunneling. The Journal of Physical Chemistry C 120:6, pages 3420-3427.
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Kyu-Yeon Jun, So-Eun Park, Jing Lu Liang, Yurngdong Jahng & Youngjoo Kwon. (2015) Benzo[ b ]tryptanthrin Inhibits MDR1, Topoisomerase Activity, and Reverses Adriamycin Resistance in Breast Cancer Cells . ChemMedChem 10:5, pages 827-835.
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