In silico-driven identification and structural analysis of nitrodihydroquinolinone pesticide candidates with antifungal activity

Vaz, Wesley F.; Neves, Bruno J.; Custódio, Jean M. F.; Silva, Lucas L.; D’Oliveira, Giulio D. C.; Lemes, Josiel Araújo; Lacerda, Bruno F.C.; Xavier-Santos, Solange; Pérez, Caridad N.; Napolitano, Hamilton B.

doi:10.1016/j.molstruc.2020.129326

Cited by 8 publications

(2 citation statements)

References 39 publications

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“…The presence of the ambident electrophilic α,βunsaturated carbonyl framework and its proximity to the nucleophilic ortho-sulfonamido group have long been exploited as templates for the base-mediated cyclization to afford the 2-aryl-1-(alkyl/arylsufonyl)-2,3-dihydroquinolin-4(1H)-ones [27][28][29] with increased propensity to undergo regio-and stereoselective C-3 halogenation [30]. Base-mediated cyclization-condensation with benzaldehyde derivatives, on the other hand, afforded the 2-aryl-1-(arylsulfonyl)-3-benzylidene-2,3-dihydroquinolin-4(1H)-ones [31,32].…”

Section: Synthesis Of O/m/p-(sulfonamido)chalconesmentioning

confidence: 99%

Synthesis, Structural and Biological Properties of the Ring-A Sulfonamido Substituted Chalcones: A Review

Mphahlele

2021

Molecules

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Sulfonamidochalcones continue to assert themselves as versatile synthetic intermedi-ates and several articles continue to appear in literature describing their synthesis, chemical transformation and biological properties. These compounds are not only of interest from the medicinal chemistry context, their conformations and crystalline structures also continue to attract attention to explore non-covalent (intramolecular and intermolecular) interactions, control molecular conformations, and improve their physicochemical and optical properties. Despite an exhaustive list of examples of the ring-A sulfonamide-appended chalcones described in the literature, there is no com-prehensive review dedicated to their synthesis, structural and biological properties. This review focuses attention on the synthesis, structure and biological properties of the ring-A sulfonamide-appended chalcones (o/m/p-sulfonamidochalcones) as well as their potential as non-linear optical materials.

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Section: Synthesis Of O/m/p-(sulfonamido)chalconesmentioning

confidence: 99%

Synthesis, Structural and Biological Properties of the Ring-A Sulfonamido Substituted Chalcones: A Review

Mphahlele

2021

Molecules

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“…Vaz and co-workers estimated the biological/toxicological properties of nitrodihydroquinolinone derivatives via machine learning (ML) models [20]. They investigated the synthesized compounds against lots of organisms such as Tobacco mosaic, Bemisia tabaci, Helicoverpa armigera, Agrobacterium tumefaciens, Botrytis fabae, Aspergillus Table 1 Summary of machine learning methods [8]…”

Section: Machine Learning Studiesmentioning

confidence: 99%

The role of machine learning method in the synthesis and biological ınvestigation of heterocyclic compounds

Mermer

2021

Mol Divers

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Machine learning (ML) methods have attracted increasing interest in chemistry as in all fields of science in recent years. This method is of great importance for the design of targeted bioactive compounds, especially by avoiding loss of time, money, and chemicals. There are lots of online web-based platforms such as LibSVM and OCHEM for the application of ML methods. In this paper, it has been examined the literature data on the activity predictions of heterocyclic compounds, biological activity results such as antiurease, HIV-1 Integrase, E. Coli DNA Gyrase B, and antifungal, pharmacophore-based studies, synthesis, and finding possible inhibitors using different machine learning methods.

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A new quinolinone-chalcone hybrid with potential antibacterial and herbicidal properties using in silico approaches

et al. 2022

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In silico-driven identification and structural analysis of nitrodihydroquinolinone pesticide candidates with antifungal activity

Cited by 8 publications

References 39 publications

Synthesis, Structural and Biological Properties of the Ring-A Sulfonamido Substituted Chalcones: A Review

Synthesis, Structural and Biological Properties of the Ring-A Sulfonamido Substituted Chalcones: A Review

The role of machine learning method in the synthesis and biological ınvestigation of heterocyclic compounds

A new quinolinone-chalcone hybrid with potential antibacterial and herbicidal properties using in silico approaches

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