title: Way toward "dietary pesticides": molecular investigation of insecticidal action of caffeic acid against Helicoverpa armigera.
abstract: Bioprospecting of natural molecules is essential to overcome serious environmental issues and pesticide resistance in insects. Here we are reporting insights into insecticidal activity of a plant natural phenol. In silico and in vitro screening of multiple molecules supported by in vivo validations suggested that caffeic acid (CA) is a potent inhibitor of Helicoverpa armigera gut proteases. Protease activity and gene expression were altered in CA-fed larvae. The structure-activity relationship of CA highlighted that all the functional groups are crucial for inhibition of protease activity. Biophysical studies and molecular dynamic simulations revealed that sequential binding of multiple CA molecules induces conformational changes in the protease(s) and thus lead to a significant decline in their activity. CA treatment significantly inhibits the insect's detoxification enzymes, thus intensifying the insecticidal effect. Our findings suggest that CA can be implicated as a potent insecticidal molecule and explored for the development of effective dietary pesticides.
authors.affiliation: Plant Molecular Biology Unit, Division of Biochemical Sciences, CSIR-National Chemical Laboratory , Dr. Homi Bhabha Road, Pune 411 008, India.
authors.forename: R S
authors.initials: RS
authors.lastname: Joshi
authors.forename: T P
authors.initials: TP
authors.lastname: Wagh
authors.forename: N
authors.initials: N
authors.lastname: Sharma
authors.forename: F A
authors.initials: FA
authors.lastname: Mulani
authors.forename: U
authors.initials: U
authors.lastname: Sonavane
authors.forename: H V
authors.initials: HV
authors.lastname: Thulasiram
authors.forename: R
authors.initials: R
authors.lastname: Joshi
authors.forename: V S
authors.initials: VS
authors.lastname: Gupta
authors.forename: A P
authors.initials: AP
authors.lastname: Giri
mesh_terms: D000818:Animals; D002109:Caffeic Acids / Q000737:chemistry / Q000494:pharmacology*; D041981:Gastrointestinal Tract / Q000187:drug effects / Q000201:enzymology; D019476:Insect Proteins / Q000037:antagonists & inhibitors / Q000737:chemistry / Q000235:genetics / Q000378:metabolism; D007306:Insecticides / Q000737:chemistry / Q000494:pharmacology*; D007814:Larva / Q000187:drug effects / Q000201:enzymology / Q000235:genetics / Q000254:growth & development; D009036:Moths / Q000187:drug effects* / Q000201:enzymology / Q000235:genetics / Q000254:growth & development; D010447:Peptide Hydrolases / Q000737:chemistry / Q000235:genetics / Q000378:metabolism; D011480:Protease Inhibitors / Q000737:chemistry / Q000494:pharmacology*; D013329:Structure-Activity Relationship
chemical_list: D002109:Caffeic Acids; D019476:Insect Proteins; D007306:Insecticides; D011480:Protease Inhibitors; D010447:Peptide Hydrolases; C040048:caffeic acid
keywords: Caffeic acid; Helicoverpa armigera; insecticidal activity; protease inhibitor