Isolation, characterization and in silico study of propenamide alkaloids from Hymenoepmecis bicolor poison against active μ-opioid receptor

Some insects produce venoms to defend against predators and directly interact with opioid receptors. In the present study, it was identified two alkaloids in the wasp venom species Hymenoepimecis bicolor. It was demonstrated that these could act as potential inhibitors of opioid receptors through th...

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Vydané v:Journal of biomolecular structure & dynamics Ročník 41; číslo 24; s. 14621 - 14637
Hlavní autori: Marques da Fonseca, Aluísio, Freire da Silva, Ananias, Barbosa da Silva, Francisco Lennon, Caluaco, Bernardino Joaquim, Gaieta, Eduardo Menezes, Nunes da Rocha, Matheus, Colares, Regilany Paulo, Sobczak, Jober Fernando, Marinho, Gabrielle Silva, dos Santos, Hélcio Silva, Marinho, Emmanuel Silva
Médium: Journal Article
Jazyk:English
Vydavateľské údaje: England Taylor & Francis 29.12.2023
Predmet:
Alkaloids - pharmacology
arthropod
chemical composition
computational simulation
Morphine - chemistry
Morphine - pharmacology
Poisons
Receptors, Opioid
Wasp
computational simulation
arthropod
chemical composition
Wasp
ISSN:0739-1102, 1538-0254, 1538-0254
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Popis
Shrnutí:Some insects produce venoms to defend against predators and directly interact with opioid receptors. In the present study, it was identified two alkaloids in the wasp venom species Hymenoepimecis bicolor. It was demonstrated that these could act as potential inhibitors of opioid receptors through their robust affinity to the receptors. The interaction profile was given to opioid receptors (μOR), with 60% of targets similar to alkaloid 1, with 0.25 probability, and 46.7% of targets similar to alkaloid 2, with a probability 0.17 of affinity as a target, which is considered signaling macromolecules and can mediate the most potent analgesic and addictive properties of opiate alkaloids. Notably, both alkaloids showed −7.6 kcal/mol affinity to the morphine agonies through six residues, Gly124, Asp147, Trp293, Ile296, Ile322, and Tyr326. These observations suggest further research on opioid receptors using in vitro studies of possible therapeutic applications. Communicated by Ramaswamy H. Sarma
Bibliografia:ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0739-1102
1538-0254
1538-0254
DOI:10.1080/07391102.2023.2183043