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Journal of Biomolecular Structure and Dynamics Volume 36, 2018 - Issue 5
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Research Articles

Exploring molecular structural requirement for AChE inhibition through multi-chemometric and dynamics simulation analyses

Tabassum HossainDepartment of Chemical Technology, University of Calcutta, 92, A. P. C. Road, Kolkata, 700009, India
,
Achintya SahaDepartment of Chemical Technology, University of Calcutta, 92, A. P. C. Road, Kolkata, 700009, IndiaCorrespondence[email protected]
ORCID Iconhttp://orcid.org/0000-0002-0205-7719
ORCID Icon &
Arup MukherjeeDepartment of Chemical Technology, University of Calcutta, 92, A. P. C. Road, Kolkata, 700009, IndiaORCID Iconhttp://orcid.org/0000-0003-1365-1905
ORCID Icon
Pages 1274-1285 | Received 09 Dec 2016, Accepted 10 Apr 2017, Published online: 28 Apr 2017

Citations (6)

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A. L. Pascoini, L. B. Federico, A. L. F. Arêas, B. A. Verde, P. G. Freitas & I. Camps. (2019) In silico development of new acetylcholinesterase inhibitors. Journal of Biomolecular Structure and Dynamics 37:4, pages 1007-1021.
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Parthiban Marimuthu, Yong-Jin Lee, ByungHoon Kim & Seong S. Seo. (2019) In silico approaches to evaluate the molecular properties of organophosphate compounds to inhibit acetylcholinesterase activity in housefly. Journal of Biomolecular Structure and Dynamics 37:2, pages 307-320.
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Articles from other publishers (4)

R A Mohamed, K K Ong, N Abdul Halim, N A Mohd. Kasim, S A Mohd. Noor, VF Knight, R Muhamad, N S Abdul Latif, H Arif & W MZ Wan Yunus. (2021) 4-Hydroxybenzohydrazide: A Potential Reactivator for Malathion-Inhibited Human Acetylcholinesterase. IOP Conference Series: Materials Science and Engineering 1051:1, pages 012021.
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Kiran Bagri, Ashwani Kumar, Manisha & Parvin Kumar. (2020) Computational Studies on Acetylcholinesterase Inhibitors: From Biochemistry to Chemistry. Mini-Reviews in Medicinal Chemistry 20:14, pages 1403-1435.
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Yorley Duarte, Margarita Gutierrez, Rocío Álvarez, Jans H. Alzate‐Morales & Jorge Soto‐Delgado. (2019) Experimental and Theoretical Approaches in the Study of Phenanthroline‐Tetrahydroquinolines for Alzheimer's Disease. ChemistryOpen 8:5, pages 627-636.
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José L. Velázquez-Libera, Julio Caballero, Alla P. Toropova & Andrey A. Toropov. (2019) Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool to build up predictive models for acetylcholinesterase (AChE) inhibitory activity. Chemometrics and Intelligent Laboratory Systems 184, pages 14-21.
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