Synthesis, antimicrobial and QSAR studies of some new thiadiazepine derivatives

Sunil, Dhanya and Shetty, Puneeth and Murugappan, Rama (2014) Synthesis, antimicrobial and QSAR studies of some new thiadiazepine derivatives. International Journal of Pharmaceutical Chemistry, 04 (03). pp. 83-87. ISSN 2249-734X

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A new series of thiadiazepine derivatives 3a-l were synthesized from base catalysed reaction between chalcones and triazoles. They were characterized by advanced spectral techniques like IR, 1HNMR and mass spectroscopy and their antimicrobial studies were carried out. 3i exhibited excellent activity against gram +ve bacteria. 3g displayed significant antifungal activity. The logarithm of zone of inhibition of microorganisms were used for studying the quantitative structure activity relationships (QSAR) of the newly synthesized thiadiazepines and were carried out using Easy QSAR 1.0 by simple linear regression analysis. PaDEL Descriptor 2.13 predicted Eccentric connectivity index (ECCEN) and Chi path to be the best correlated QSAR model for antibacterial and anti-fungal activity of thiadiazepines against Staphylococcus aureus and Asper gillusniger respectively. The development of the best QSAR model for antimicrobial activity for thiadiazepines was confirmed by the high correlation between the observed and the predicted Log ZOI values.

Item Type: Article
Uncontrolled Keywords: Thiadiazepine, Antimicrobial and QSAR
Subjects: Engineering > MIT Manipal > Chemistry
Depositing User: MIT Library
Date Deposited: 15 Oct 2014 11:35
Last Modified: 15 Oct 2014 11:35

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