Toxicity of Bioactive Molecule Andrographolide against Spodoptera litura Fab and Its Binding Potential with Detoxifying Enzyme Cytochrome P450

Among ten extracts of indigenous medicinal plants, the MeOH extract of Terminalia triptera Stapf. (TTS) showed the most efficient mammalian α-glucosidase inhibition for the first time. The data of screening bioactive parts used indicated that the TTS trunk bark and leaves extracts demonstrated comparable and higher effects compared to acarbose, a commercial anti-diabetic drug, with half-maximal inhibitory concentration (IC50) values of 181, 331, and 309 µg/mL, respectively. Further bioassay-guided purification led to the isolation of three active compounds from the TTS trunk bark extract and identified as (−)-epicatechin (1), eschweilenol C (2), and gallic acid (3). Of these, compounds 1 and 2 were determined as novel and potent mammalian α-glucosidase inhibitors. The virtual study indicated that these compounds bind to α-glucosidase (Q6P7A9) with acceptable RMSD values (1.16–1.56 Å) and good binding energy (DS values in the range of −11.4 to −12.8 kcal/mol) by interacting with various prominent amino acids to generate five and six linkages, respectively. The data of Lipinski’s rule of five and absorption, distribution, metabolism, excretion and toxicity (ADMET)-based pharmacokinetics and pharmacology revealed that these purified compounds possess anti-diabetic drug properties, and the compounds are almost not toxic for human use. Thus, the findings of this work suggested that (−)-epicatechin and eschweilenol C are novel potential mammalian α-glucosidase inhibitor candidates for type 2 diabetes treatment.

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“…The virtual simulations were done following some typical steps previously presented in the earlier reports [ 41 , 42 , 43 , 44 , 45 ]:…”

Section: Methodsmentioning

confidence: 99%

Screening and Elucidation of Chemical Structures of Novel Mammalian α-Glucosidase Inhibitors Targeting Anti-Diabetes Drug from Herbals Used by E De Ethnic Tribe in Vietnam

et al. 2023

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“…Natural compounds obtained from plant-based origin are less toxic and are more potential against target harmful organisms (Edwin et al 2021). Reports from earlier researcher reveals about 1200 plants exerts its potential against insects (Roark 1947), plant species which exhibit mosquitocidal activity was 344 (Sukumar et al 1991) Natural active compounds, essential oils and plant extract which act as a good mosquitocidal activity and promising to reduce the risk to humans and harmful accumulated residues.…”

Section: Plants As a Potential Tool Against Vectorsmentioning

confidence: 99%

“…Natural compounds obtained from plant‐based origin are less toxic and are more potential against target harmful organisms (Edwin et al . 2021). Reports from earlier researcher reveals about 1200 plants exerts its potential against insects (Roark 1947), plant species which exhibit mosquitocidal activity was 344 (Sukumar et al .…”

Section: Plants As a Potential Tool Against Vectorsmentioning

confidence: 99%

Toxicity of plants as insecticides against human pathogenic mosquito vectors of Saudi Arabian strains—A review

Aziz,

Panneerselvam,

Edward‐Sam

2023

Entomological Research

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Mosquitoes (Diptera: Culicidae) are considered to be huge threat among millions of peoples, animals, and other living organisms in the world. Most of the vector borne diseases such as malaria, filariasis, dengue hemorrhagic fever, chikungunya, Japanese encephalitis etc., created huge impact on humans in all over the world. Vector diseases in Kingdom of Saudi Arabia are increasing day by day and their control measures taken through the government sectors for eradicating the vectors helps in controlling the diseases but still more approaches to be implemented or assimilated. Most of the synthetic or chemical based insecticides to control mosquitoes developed resistance among their communities even though they showed their potential in controlling the vector in initial days. Botanical insecticides from plant‐based origin such as active compounds, essential oils, green synthesized nanomaterials, and microbial secondary metabolites helps more efficiency in controlling vectors. Mode of action against vectors differs based on its persisting active ingredients, such as larvicidal, pupicidal, adulticidal, oviposition, morphological changes etc. Even though number of research works has been carried out against mosquito species, there is only limited number of studies undergone against mosquito vectors from Saudi Arabia origin. Hence this review will give us the current knowledge on the effectiveness of botanical insecticides against major mosquito vectors from Saudi Arabia. Thus, it gives more significant against medical and veterinary sectors.

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“…Andrographolide ( 1 , Figure ) is a diterpene lactone compound isolated from the commonly used Chinese herbal medicine Andrographis paniculata . Andrographolide has anticancer, , antibacterial, antiviral, , antiinflammatory, anti-Alzheimer’s, and pesticidal activities, , but its pharmacological effects are limited by poor water solubility and low bioavailability . Therefore, structural modification of andrographolide is necessary to improve its bioactivities.…”

Section: Introductionmentioning

confidence: 99%

Discovery of Pesticide Candidates from Natural Plant Products: Semisynthesis and Characterization of Andrographolide-Based Esters and Study of Their Pesticidal Properties and Toxicology

Hao,

Ding,

et al. 2024

J. Agric. Food Chem.

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To explore the use of nonfood plant-derived secondary metabolites for plant protection, a series of ester derivatives for controlling the major migratory agricultural pests were obtained by structural modification of andrographolide, a labdane diterpenoid isolated from Andrographis paniculata. Compound Id showed good insecticidal activity against the fall armyworm Spodoptera frugiperda Smith. Compounds IIa (LC 50 : 0.382 mg/mL) and IIIc (LC 50 : 0.563 mg/mL), the acaricidal activities of which were, respectively, 13.1 and 8.9 times that of andrographolide (LC 50 : 4.996 mg/mL), exhibited strong acaricidal and control effects against Tetranychus cinnabarinus Boisduval. Against Aphis citricola Van der Goot, compounds IIIc and IVb displayed 3.9-and 3.7fold pronounced aphicidal activity of andrographolide. Effects of compound Id on three protective enzymes (superoxide dismutase, peroxidase, and catalase) of S. frugiperda were also observed. The obvious differences of epidermal cuticle structures of mites treated with compound IIa were determined by scanning electron microscopy. Structure−activity relationships indicated that 14-ester derivatives of andrographolide showed potential insecticidal/acaricidal activities and can be further utilized as lead compounds.

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Toxicity of Bioactive Molecule Andrographolide against Spodoptera litura Fab and Its Binding Potential with Detoxifying Enzyme Cytochrome P450

Cited by 15 publications

References 51 publications

Screening and Elucidation of Chemical Structures of Novel Mammalian α-Glucosidase Inhibitors Targeting Anti-Diabetes Drug from Herbals Used by E De Ethnic Tribe in Vietnam

Screening and Elucidation of Chemical Structures of Novel Mammalian α-Glucosidase Inhibitors Targeting Anti-Diabetes Drug from Herbals Used by E De Ethnic Tribe in Vietnam

Toxicity of plants as insecticides against human pathogenic mosquito vectors of Saudi Arabian strains—A review

Discovery of Pesticide Candidates from Natural Plant Products: Semisynthesis and Characterization of Andrographolide-Based Esters and Study of Their Pesticidal Properties and Toxicology

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