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Acta Trop

Title:		Screening organic repellent compounds against Lutzomyia longipalpis (Diptera: Psychodidae) present in plant essential oils: Bioassay plus an in silico approach
Author(s):		Mota TF; Silva CMA; Conceicao MDS; Fraga DBM; Brodskyn CI; Neto MFA; Santana IB; Mesquita PRR; Leite FHA; Magalhaes-Junior JT;
Address:		"Laboratorio de Interacao Parasito-Hospedeiro e Epidemiologia (LaIPHE), Instituto Goncalo Moniz (IGM), FIOCRUZ-BA, Rua Waldemar Falcao, 121 Candeal, 40296-710, Salvador, Bahia, Brazil. Electronic address: tiagofmotavet@gmail.com. Centro Multidisciplinar do Campus de Barra da Universidade Federal do Oeste da Bahia, Bahia, Brasil. Laboratorio de Interacao Parasito-Hospedeiro e Epidemiologia (LaIPHE), Instituto Goncalo Moniz (IGM), FIOCRUZ-BA, Rua Waldemar Falcao, 121 Candeal, 40296-710, Salvador, Bahia, Brazil; Departamento de Medicina Veterinaria Preventiva e Producao Animal, Escola de Medicina Veterinaria e Zootecnia, Universidade Federal da Bahia (UFBA), Av. Adhemar de Barros, 500 Ondina, 40170-110, Salvador, Bahia, Brazil. Laboratorio de Interacao Parasito-Hospedeiro e Epidemiologia (LaIPHE), Instituto Goncalo Moniz (IGM), FIOCRUZ-BA, Rua Waldemar Falcao, 121 Candeal, 40296-710, Salvador, Bahia, Brazil. Laboratorio de Modelagem Molecular, Departamento de Saude, Universidade Estadual de Feira de Santana, Bahia, Brasil. Centro Tecnologico Agropecuario do Estado da Bahia (CETAB), Bahia, Brazil; Faculdade Maria Milza, Bahia, Brazil"
Journal Title:		Acta Trop
Year:		2022
Volume:		20220212
Issue:
Page Number:		106367 -
DOI:		10.1016/j.actatropica.2022.106367
ISSN/ISBN:		1873-6254 (Electronic) 0001-706X (Linking)
Abstract:		"In the Americas, Lutzomyia longipalpis is the most relevant sand fly species for the transmission of visceral leishmaniasis. For its vector control in Brazil, insecticide spraying has not shown persistent reduction in disease prevalence while some sand fly populations are reported resistant to the insecticides used in spraying. The usage of repellents and personal protection behavior can reduce vector borne diseases prevalence. Therefore, the search for new repellent compounds is needed to use together with insecticide spraying, especially from natural sources to overcome the resistance developed by some sand fly populations to the compounds commercially used. In silico strategies have been applied together with repellency bioassays successfully identifying new bioactive compounds from natural sources. Thus, the present study aimed to screen repellent potential of neem (Azadirachta indica), citronella (Cymbopogon winterianus), bushy matgrass (Lippia alba) and 'alecrim do mato' (Lippia thymoides) essential oils against L. longipalpis and to identify potential repellent compounds by chemical analysis and in silico approach. Plant essential oils were extracted from leaves and repellency bioassays were performed on volunteers using colony reared L. longipalpis. Aside from neem oil, all other tested essential oil has shown a reduced number of sand fly bites using higher concentrations. Chemical composition from oils was assessed and its compounds were screened on a pharmacophore model using odorant binding protein 1 (OBP1). All essential oils were majorly composed of either oxygenated monoterpenes, except for the oil extracted from neem which was composed of sesquiterpene hydrocarbons. Molecular docking was performed with the compounds that best superimposed in the OBP1 pharmacophore model, identifying those binding to OBP4, which is associated with insect repellency behavior. Citronellol, Citronellol acetate, Citronellal and Geranyl acetate showed similar interactions with OBP4 binding site as DEET. Thus, it is suggested that these compounds are able to bind to L. longipalpis OBP4 generating repellent behavior in sand flies"
Keywords:		"Animals Biological Assay Humans *Insect Repellents/pharmacology Molecular Docking Simulation *Oils, Volatile/pharmacology Plant Oils/pharmacology *Psychodidae Biological activity Ethnobotanical repellent Molecular docking Pharmacophore model Terpenoids;"
Notes:		"MedlineMota, Tiago F Silva, Caliene M de A Conceicao, Mauricio Dos S Fraga, Deborah B M Brodskyn, Claudia I Neto, Moyses F de A Santana, Isis B Mesquita, Paulo R R Leite, Franco H A Magalhaes-Junior, Jairo T eng Netherlands 2022/02/16 Acta Trop. 2022 May; 229:106367. doi: 10.1016/j.actatropica.2022.106367. Epub 2022 Feb 12"