Synthesis, molecular modeling and harnessing the antimicrobial activity of new pyrazine-thiadiazole hybrids

Synthesis, molecular modeling and harnessing the antimicrobial activity of new pyrazine-thiadiazole hybrids

Abstract Various pyrazine-substituted thiadiazole hybrid compounds 5a-c, 9a-c, and 11a-c have been synthesized and elucidated using spectral measurements. Despite the alternative spatial structures, the DFT modeling of the targeting hybrids revealed comparable HOMO–LUMO configurations and energies,...

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Main Authors: Hana M. Abumelha, Nuha M. Halawani, Abdulrahman S. Alharbi, Rabah N. Alsulami, Jihan Qurban, Khadra B. Alomari, Ameena M. Al-Bonayan, Nashwa El-Metwaly
Format: Article
Language:English
Published: BMC 2025-07-01
Series:BMC Chemistry
Subjects:
Hydrazonoyl bromide
Pyrazine-thiadiazole
Modeling
Antimicrobial
DHFR
ADMET
Online Access:https://doi.org/10.1186/s13065-025-01587-y
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https://doi.org/10.1186/s13065-025-01587-y

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