Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholinesterase: molecular docking, MD, and MM/GBSA calculations.

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Title: Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholinesterase: molecular docking, MD, and MM/GBSA calculations.
Authors: da Fonseca AM; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Luthierre Gama Cavalcante A; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Mendes AMDS; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., da Silva FDFC; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Ferreira DCL; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusofonia, Redenção, Brazil., Ribeiro PRV; EMBRAPA Agroindustrial Tropical, Fortaleza, Brazil., Dos Santos JCS; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusofonia, Redenção, Brazil., Dos Santos HS; Department of Biological Chemistry, Regional University of Cariri, Crato, Brazil., Gaieta EM; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Marinho GS; Theoretical Chemistry and Electrochemistry Group, State University of Ceará, Limoeiro do Norte, Brazil., Colares RP; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil., Marinho ES; Theoretical Chemistry and Electrochemistry Group, State University of Ceará, Limoeiro do Norte, Brazil.
Source: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Nov; Vol. 41 (19), pp. 9282-9296. Date of Electronic Publication: 2022 Nov 03.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
Journal Info: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Phytochemical study of Lantana camara flowers, ecotoxicity, antioxidant, in vitro and in silico acetylcholinesterase: molecular docking, MD, and MM/GBSA calculations.
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  Data: <searchLink fieldCode="AU" term="%22da+Fonseca+AM%22">da Fonseca AM</searchLink>; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Luthierre+Gama+Cavalcante+A%22">Luthierre Gama Cavalcante A</searchLink>; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Mendes+AMDS%22">Mendes AMDS</searchLink>; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22da+Silva+FDFC%22">da Silva FDFC</searchLink>; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Ferreira+DCL%22">Ferreira DCL</searchLink>; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusofonia, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Ribeiro+PRV%22">Ribeiro PRV</searchLink>; EMBRAPA Agroindustrial Tropical, Fortaleza, Brazil.<br /><searchLink fieldCode="AU" term="%22Dos+Santos+JCS%22">Dos Santos JCS</searchLink>; Institute of Engineering and Sustainable Development, University of International Integration of Afro-Brazilian Lusofonia, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Dos+Santos+HS%22">Dos Santos HS</searchLink>; Department of Biological Chemistry, Regional University of Cariri, Crato, Brazil.<br /><searchLink fieldCode="AU" term="%22Gaieta+EM%22">Gaieta EM</searchLink>; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Marinho+GS%22">Marinho GS</searchLink>; Theoretical Chemistry and Electrochemistry Group, State University of Ceará, Limoeiro do Norte, Brazil.<br /><searchLink fieldCode="AU" term="%22Colares+RP%22">Colares RP</searchLink>; Institute of Exact Sciences and Nature, University of International Integration of Afro-Brazilian Lusophony, Redenção, Brazil.<br /><searchLink fieldCode="AU" term="%22Marinho+ES%22">Marinho ES</searchLink>; Theoretical Chemistry and Electrochemistry Group, State University of Ceará, Limoeiro do Norte, Brazil.
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  Data: <searchLink fieldCode="JN" term="%228404176%22">Journal of biomolecular structure & dynamics</searchLink> [J Biomol Struct Dyn] 2023 Nov; Vol. 41 (19), pp. 9282-9296. <i>Date of Electronic Publication: </i>2022 Nov 03.
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              Text: 2023 Nov
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