Synthesis and biological evaluation of sulfonamide-based 1,3,4-oxadiazole derivatives

Kavitha, Selvaraj; Nasarullah, Z.; Kannan, K.

doi:10.4314/bcse.v33i2.11

Cited by 5 publications

(3 citation statements)

References 25 publications

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“…The chemical hardness (η) is one of the properties of the molecule used to measure the intensity of chemical reactivity. A lower chemical hardness means a less stable and more reactive compound (33). The increasing order in terms of values of η for phenolic compounds is 7 < 5…..< 1 < 8.…”

Section: Dft Studies Resultsmentioning

confidence: 99%

Antimicrobial prospection and density functional study of some phenolic compounds

GABRIELA¹,

CRISTINA²,

MARIA³

2023

Acta Poloniae Pharmaceutica - Drug Research

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Phenols represent an important class of compounds that present high antimicrobial potential. The seventeen selected phenols were tested in vitro for their antimicrobial activity showing different activity to S. aureus ATCC 25923, E. coli ATCC 25922, P. aeruginosa ATCC 27853 and C. albicans ATCC 90028. Most of the phenolic compounds have a good efficacy on S. aureus and C. albicans. 2- and 4-aminophenol have been found to be the most potent antimicrobial agents against S. aureus, with MIC values 0.170 mg/mL and 0.340 mg/mL, respectively. The frontier orbital energy and the global reactivity descriptors (calculated using Spartan 16 software) were discussed for the selected phenols; results revealed that the theoretical calculations of antimicrobial activity were related to the quantum chemical parameters.

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Section: Dft Studies Resultsmentioning

confidence: 99%

Antimicrobial prospection and density functional study of some phenolic compounds

GABRIELA¹,

CRISTINA²,

MARIA³

2023

Acta Poloniae Pharmaceutica - Drug Research

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show abstract

“…As a result, it is critical to develop and find new antimicrobial medications that are both safer and more effective [3]. According to a review of the literature, 1,3,4-oxadiazole has antifungal [4,5], antimicrobial [6][7][8], antihypertensive [9], anticonvulsant [10], antiviral [11], anti-inflammatory [12], and anticancer activity [13].…”

Section: Introductionmentioning

confidence: 99%

In-silico ADME prediction and molecular docking study of novel benzimidazole-1,3,4-oxadiazole derivatives as CYP51 inhibitors for antimicrobial activity

Kolageri

Hemanth

Parit³

2022

JOAPR

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A class of innovative benzimidazole-1,3,4-Oxadiazole derivatives is a significant heterocyclic molecule for therapeutic development. In heterocyclic chemistry, the novel 1,3,4-Oxadiazole nucleus has a wide range of uses, including antibacterial, treatment. Molecular docking is frequently employed in contemporary drug design to comprehend drug-receptor interaction. Swiss dock, PyRx, and discovery studio visualizer (DSV) tools were used to predict in-silico ADME properties. In the current investigation, substituted benzimidazole-1,3,4-Oxadiazole derivatives were taken for docking studies against 6AYB an Naegleria fowleri CYP51-ketoconazole complex. The main objective of the study is to perform docking of the selected benzimidazole-1,3,4-oxadiazole derivatives on the protein and compare the docking score with standard ketoconazole. The molecular docking study was conducted using PyRx and the discovery studio visualizer (DSV) program, Naegleria fowleri CYP51-ketoconazole complex (6AYB) was obtained from the protein data bank (PDB) site. It was found that the docking score of all sixteen 1,3,4-Oxadiazole compounds ranged from -8.1 to -8.9 Kcal/mol. The novel benzimidazole with 1,3,4-Oxadiazole derivatives has been found to possess antibacterial properties, many substituted 1,3,4-Oxadiazole derivatives have been reported for the activity

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“…This challenges the treatment even though previously used antibiotics or antimicrobial drugs are no longer effective, and infections become progressively difficult to treat. 2 Hence, it is essential to design and discover new and safer as well as more effective antimicrobial drugs, 3 Literature survey revealed that 1, 3, 4-oxadiazole possess diverse pharmacological activities such as anticancer, 4 antimicrobial, 5,6 antihypertensive, 7 anticonvulsant, 8 antimalarial, 9 antiviral, 10 anti-inflammatory. 11 Some of 2, 5-disubstituted 1, 3, 4-oxadiazole based entities have emerged as most potent antimicrobial activities.…”

Section: Introductionmentioning

confidence: 99%

Design, molecular docking studies and ADME prediction of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives as CYP51 inhibitor for antimicrobial activity

Jadhav¹,

Gadekar²,

Jadhav³

et al. 2022

CTPPC

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The 1, 3, 4-Oxadiazole nucleus offers a wide range of applications in hetero cyclic chemistry, including antimicrobial medicine. A series of the 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives were designed and study was performed against the ergosterol biosynthesis as an antimicrobial target. The drug-likeness properties of the designed compounds were predicted. All the designed compounds showed good ADME properties and investigated for CYP51 inhibitory activity. According to molecular docking studies, all compounds showed better interaction with target protein and could be the potent inhibitor of ergosterol biosynthesis. The designed 2, 5-disubstituted 1, 3, 4-Oxadiazole derivatives analogs could be safer and more or equivalent effective antimicrobial agents.

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Synthesis and biological evaluation of sulfonamide-based 1,3,4-oxadiazole derivatives

Cited by 5 publications

References 25 publications

Antimicrobial prospection and density functional study of some phenolic compounds

Antimicrobial prospection and density functional study of some phenolic compounds

In-silico ADME prediction and molecular docking study of novel benzimidazole-1,3,4-oxadiazole derivatives as CYP51 inhibitors for antimicrobial activity

Design, molecular docking studies and ADME prediction of 2, 5-disubstituted 1, 3, 4-oxadiazole derivatives as CYP51 inhibitor for antimicrobial activity

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