Insecticidal activity of an essential oil of Tagetes patula L. (Asteraceae) on common bed bug Cimex lectularius L. and molecular docking of major compounds at the catalytic site of ClAChE1

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dc.contributor.authorPoliti, Flávio Augusto Sanches [UNESP]
dc.contributor.authorNascimento, Juliana Damieli [UNESP]
dc.contributor.authorda Silva, Alexander Alves [UNESP]
dc.contributor.authorMoro, Isabela Jacob [UNESP]
dc.contributor.authorGarcia, Mariana Lopes
dc.contributor.authorGuido, Rafael Victório Carvalho
dc.contributor.authorPietro, Rosemeire Cristina Linhari Rodrigues [UNESP]
dc.contributor.authorGodinho, Antônio Francisco [UNESP]
dc.contributor.authorFurlan, Maysa [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.date.accessioned2018-12-11T17:07:39Z
dc.date.available2018-12-11T17:07:39Z
dc.date.issued2017-01-01
dc.description.abstractEmerging resistance to insecticides has influenced pharmaceutical research and the search for alternatives to control the common bed bug Cimex lectularius. In this sense, natural products can play a major role. Tagetes patula, popularly known as dwarf marigold, is a plant native to North America with biocide potential. The aim of this work was to evaluate the biological activity of T. patula essential oil (EO) against adult common bed bugs via exposure to dry residues by the Impregnated Paper Disk Test (IPDT) using cypermethrin as a positive control. We selected the enzyme acetylcholinesterase as a target for modeling studies, with the intent of investigating the molecular basis of any biological activity of the EO. Chemical analysis of the EO was performed using gas chromatography coupled to mass spectrometry (GC-MS). Additionally, oral and dermal acute toxicity tests were performed according to Organization for Economic Cooperation and Development (OECD) guidelines. The sulforhodamine B assay (SRB) was performed to verify the cytotoxicity of EO to HaCaT cells. The EO eliminated 100 % of the bed bugs at 100 mg mL−1 with an LC50 value of 15.85 mg mL−1. GC-MS analysis identified α-terpinolene, limonene, piperitenone, and piperitone as major components of the mixture. Molecular modeling studies of these major compounds suggested that they are acetylcholinesterase inhibitors with good steric and electronic complementarity. The in vitro cytotoxicity evaluation revealed a LC50 = 37.06 μg mL−1 and in vivo acute toxicity showed an LC50 >4000 mg kg−1, indicating that the EO presents low risk of toxic side effects in humans. The T. patula essential oil components provide a promising strategy for controlling bed bug populations with low mammalian toxicity. These findings pave the way for further in vivo studies aimed at developing a safe and effective insecticide.en
dc.description.affiliationDepartment of Organic Chemistry Institute of Chemistry University Estadual Paulista-UNESP, Rua Prof. Francisco Degni 55, Quitandinha
dc.description.affiliationFaculdade de Ciências Farmacêuticas University Estadual Paulista-UNESP, Rod. Araraquara-Jaú Km 01
dc.description.affiliationCentro de Pesquisa e Inovação em Biodiversidade e Fármacos Instituto de Física de São Carlos Universidade de São Paulo
dc.description.affiliationCentro de Assistência Toxicológica (CEATOX) University Estadual Paulista-UNESP, Distrito de Rubião Júnior s/n
dc.description.affiliationUnespDepartment of Organic Chemistry Institute of Chemistry University Estadual Paulista-UNESP, Rua Prof. Francisco Degni 55, Quitandinha
dc.description.affiliationUnespFaculdade de Ciências Farmacêuticas University Estadual Paulista-UNESP, Rod. Araraquara-Jaú Km 01
dc.description.affiliationUnespCentro de Assistência Toxicológica (CEATOX) University Estadual Paulista-UNESP, Distrito de Rubião Júnior s/n
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipIdFAPESP: 2013/03493-8
dc.description.sponsorshipIdFAPESP: 2013/07600-3
dc.description.sponsorshipIdCNPq: 307550/2013-3
dc.format.extent415-424
dc.identifierhttp://dx.doi.org/10.1007/s00436-016-5305-x
dc.identifier.citationParasitology Research, v. 116, n. 1, p. 415-424, 2017.
dc.identifier.doi10.1007/s00436-016-5305-x
dc.identifier.file2-s2.0-84994706816.pdf
dc.identifier.issn1432-1955
dc.identifier.issn0932-0113
dc.identifier.lattes1308042794786872
dc.identifier.scopus2-s2.0-84994706816
dc.identifier.urihttp://hdl.handle.net/11449/173767
dc.language.isoeng
dc.relation.ispartofParasitology Research
dc.relation.ispartofsjr0,991
dc.relation.ispartofsjr0,991
dc.rights.accessRightsAcesso aberto
dc.sourceScopus
dc.subjectAcetylcholinesterase inhibitors
dc.subjectHomology modeling
dc.subjectInsecticide resistance
dc.subjectNatural products
dc.titleInsecticidal activity of an essential oil of Tagetes patula L. (Asteraceae) on common bed bug Cimex lectularius L. and molecular docking of major compounds at the catalytic site of ClAChE1en
dc.typeArtigo
unesp.author.lattes9719891659222257[8]
unesp.author.orcid0000-0002-2832-8919[8]

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Artigos - Química Orgânica - IQ
Botucatu - CEATOX - Centro de Assistência Toxicológica