Green synthesis, biological and molecular docking of some novel sulfonamide thiadiazole derivatives as potential insecticidal against Spodoptera littoralis

Abstract

Although crop plants provide the majority of human food, pests and insects frequently cause huge economic losses. In order to develop innovative insecticidal compounds with low toxicity and a positive environmental impact, we developed new N-(4-sulfamoylphenyl)-1,3,4-thiadiazole-2-carboxamide derivatives (2–12). With the use of spectroscopic techniques and elemental data, the chemical structure of these new compounds was meticulously clarified. The toxicological and biological effects of the synthesized compound of the cotton leafworm Spodoptera littoralis (Boisduval, 1833) under laboratory conditions were also investigated. Regarding the determined LC50 values, compounds 3, 7, 8, and 10 showed the most potent toxic effect with LC50 values of 29.60, 30.06, 27.65 and 29.01 ppm, respectively. A molecular docking investigation of twelve synthetic compounds (from compound 2 to compound 12) was performed against AChE (Acetylcholinesterase). There was a wide range of binding affinities shown by these compounds. This work suggests that these substances may have insecticidal and AChE inhibitory properties, and it may be possible to further explore them in the process of creating pesticides that target AChE.

Designing, Characterization, DFT, Biological Effectiveness, and Molecular Docking Analysis of Novel Fe(III), Co(II), and Cu(II) Complexes Based on 4-Hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione

“…To establish a correlation between the in vitro biological data and binding affinity of the inhibitors, molecular docking was performed against the target protein. , During the process of docking two molecules, substrate and its target receptor active site, computational algorithm can be employed to ascertain the most favorable three-dimensional configuration that maximizes their alignment . Molecular docking is an algorithmic approach used in computational chemistry to forecast the affinity and binding capability of two molecules. , …”

“…25 Molecular docking is an algorithmic approach used in computational chemistry to forecast the affinity and binding capability of two molecules. 26,27 To explore the therapeutic potential of the components, molecular docking analyses were performed utilizing the MOE software. 28 The target proteins selected for docking included glucosamine-6-phosphate synthase from Escherichia coli (2vf5), 29 urate oxidase from Aspergillus flavus (3cku), 30 and the oxidized form of human peroxiredoxin 2 (5IJT).…”

One-Pot, Four-Component Reaction for the Design, Synthesis, and SAR Studies of Novel Pyridines for Insecticidal Bioefficacy Screening against Cowpea Aphid (Aphis craccivora)

“…All toxicity data of synthesized pyridines were analyzed by using Abbott’s formula . The evaluation of toxicological activity depends on LC 50 values, which were estimated by probit analysis. , …”

“…This fact makes scientists look for the preparation of new insecticides with different structures to overcome resistance problems; new insecticides may have a powerful effect on getting rid of these harmful insects. Recently, scientists have tended to replace traditional with modern methods in the synthesis of organic compounds, such as applying microwave irradiation, which has many advances such as inexpensive, eco-friendly, cheap, avoiding the use of harmful solvents, reducing the time of preparation from hours to minutes, and achieving a higher yield compared with traditional methods. − …”

Green synthesis and bioefficacy screening of new insect growth regulators as eco‐friendly insecticides against the cotton mealybug Phenacoccus solenopsis

“…So, in order to stop insect resistance, we synthesize new IGR molecules. Due of their widespread use as agrochemicals and insect growth regulators (IGRs), 4‐alkyloxyphenylamide derivatives of 2‐((2‐naphthyloxy)methyl)oxirane and 2‐((2‐naphthyloxy)methyl)oxirane [9] have undergone substantial research into their chemistry. As potential substitutes for synthetic insecticides for the management of pests, 2‐((2‐naphthyloxy)methyl)oxirane and 4‐alkyloxyphenylamide compounds are being studied.…”