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Journal of Biomolecular Structure and Dynamics Volume 37, 2019 - Issue 6
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Research Article

Docking, steered molecular dynamics, and QSAR studies as strategies for studying isoflavonoids as 5-, 12-, and 15-lipoxygenase inhibitors

Francisco CabezasLaboratorio de Simulación Molecular y Diseño Racional de Fármacos, Facultad de Química y Biología, Departamento de Ciencias del Ambiente, Universidad de Santiago de Chile, Santiago, Chile.
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Carolina MascayanoLaboratorio de Simulación Molecular y Diseño Racional de Fármacos, Facultad de Química y Biología, Departamento de Ciencias del Ambiente, Universidad de Santiago de Chile, Santiago, Chile.Correspondence[email protected]
Pages 1511-1519 | Received 07 Dec 2017, Accepted 23 Mar 2018, Published online: 04 May 2018

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Prasanth Ghanta, Shweta Sinha, Mukesh Doble & Basavaraju Ramaiah. (2022) Potential of pyrroquinazoline alkaloids from Adhatoda vasica Nees. as inhibitors of 5-LOX – a computational and an in-vitro study. Journal of Biomolecular Structure and Dynamics 40:6, pages 2785-2796.
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Wenya Han & Jiazhong Li. (2020) Structure-activity relationship analysis of 3-phenylpyrazole derivatives as androgen receptor antagonists. Journal of Biomolecular Structure and Dynamics 38:9, pages 2582-2591.
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Articles from other publishers (3)

Ladan Pourabdi, Tuba Tüylü Küçükkılınç, Fatemeh Khoshtale, Beyza Ayazgök, Hamid Nadri, Farid Farokhi Alashti, Hamid Forootanfar, Tayebeh Akbari, Mohammad Shafiei, Alireza Foroumadi, Mohammad Sharifzadeh, Mehdi Shafiee Ardestani, M. Saeed Abaee, Loghman Firoozpour, Mehdi Khoobi & Mohammad M. Mojtahedi. (2022) Synthesis of New 3-Arylcoumarins Bearing N-Benzyl Triazole Moiety: Dual Lipoxygenase and Butyrylcholinesterase Inhibitors With Anti-Amyloid Aggregation and Neuroprotective Properties Against Alzheimer’s Disease. Frontiers in Chemistry 9.
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Yatong Li, Yuxin Zhang, Xia Wu, Yanbin Gao, Junfang Guo, Yulang Tian, Ziyue Lin & Xing Wang. (2021) Discovery of natural 15-LOX small molecule inhibitors from Chinese herbal medicine using virtual Screening, biological evaluation and molecular dynamics studies. Bioorganic Chemistry 115, pages 105197.
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Vipin Kumar Mishra & Sabyashachi Mishra. (2019) Origin of Regio- and Stereospecific Catalysis by 8-Lipoxygenase. The Journal of Physical Chemistry B 123:50, pages 10605-10621.
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