Green Synthesis, Biological Evaluation, and Molecular Docking of 4'-(Substituted Phenyl)Spiro[Indoline-3,3'-[1,2,4]Triazolidine]-2,5'-Diones

Ahsan, Mohamed Jawed; Yusuf, Mohammad; Salahuddin,; Bakht, Md. Afroz; Taleuzzaman, Mohamad; Vashishtha, Bharat; Thiriveedhi, Arunkumar

doi:10.1080/10406638.2022.2101491

Cited by 4 publications

(1 citation statement)

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“…DNA gyrase subunit B (1KZN) is considered to be a very important target for antibacterial drug design and discovery [63]. DNA gyrase is an important bacterial protein that is involved in the replication, transcription, and the catalysis of the negative supercoiling of bacterial circular DNA [64]. Therefore, the crystal structure of E. coli 24 kDa DNA gyrase fragment was used as a possible target for the synthetized Schiff base and its diorganotin (IV) complexes.…”

Section: Molecular Docking Studiesmentioning

confidence: 99%

Synthesis, Structural Investigations, and In Vitro/In Silico Bioactivities of Flavonoid Substituted Biguanide: A Novel Schiff Base and Its Diorganotin (IV) Complexes

et al. 2022

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Quercetin is one of the most powerful bioactive dietary flavonoids. The in vivo biological study of quercetin is extremely difficult due to its very low solubility. However, diorganotin complexes of quercetin are more useful when contrasted with quercetin due to increased solubility. In the present study, quercetin, substituted biguanide synthesized in the form of Schiff base and its di-alkyl/aryl tin (IV) complexes were obtained by condensing Schiff base with respective di-alkyl/aryl tin (IV) dichloride. Advanced analytical techniques were used for structural elucidation. The results of biological screening against Gram-positive/Gram-negative bacteria and fungi showed that these diorganotin (IV) derivatives act as potent antimicrobial agents. The in silico investigation with dihydropteroate (DHPS) disclosed a large ligand–receptor interaction and revealed a strong relationship between the natural exercises and computational molecular docking results.

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Section: Molecular Docking Studiesmentioning

confidence: 99%