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In silico and in vitro evaluation of compatibility between papain and agricultural pesticides.

Created on 09 Oct 2026

Authors

Adriane Toledo Batista da Silva, Isabela Aparecida Militani, Nivia Kelly Lima Sales, Amanda do Carmo Alves, Alexandre Alves de Castro, Rosangela Cristina Marucci, Teodorico Castro Ramalho, Filippe Elias de Freitas Soares

Published in

Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes. Pages 1-10. Oct 09, 2026. Epub Oct 09, 2026.

Abstract

Brazil is a major consumer of pesticides, which raises concerns in the context of One Health. In this sense, new biotechnological alternatives for pest and disease control are fundamental. The use of relevant biomolecules, such as papain, a cysteine protease present in Carica papaya latex, has shown great potential. In this context, this study investigated in silico, through molecular docking with 130 pesticides authorized by MAPA and through experimental assays, the interactions between pesticides and papain, in addition to evaluating the combined action on Tenebrio molitor larvae. Metaflumizone and etiprole were selected for biochemical analysis, with proteolytic activity determined by the caseinolytic method and the effects on larvae evaluated in vitro. By docking analysis, metaflumizone presented the lowest binding energy (-8.6 kcal mol-1), indicating high affinity for the active site; however, in experimental tests, there was no significant change in papain activity (p > 0.05). On the other hand, etiprole reduced enzymatic activity by 64%, but only at a concentration four times higher than that used in the spray (p < 0.01).

PMID:
42852987
Bibliographic data and abstract were imported from PubMed on 09 Oct 2026.

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