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Journal :   Research Journal of Pharmacy and Technology

Volume No. :   4

Issue No. :  12

Year :  2011

Pages :   1904-1909

ISSN Print :  0974-3618

ISSN Online :  0974-360X


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QSAR Modeling of Antimycobacterial Activities of N-Benzylsalicylamides and N-Benzylsalicylthioamides Derivatives against Mycobacterium kansasii CNCTC My (235/80) Using Topological Parameter



Address:   Supratim Ray*
Division of Pharmaceutical Chemistry, Dr. B C Roy College of Pharmacy and Allied Health Sciences, Bidhannagar, Durgapur, 713 206, India
Corresponding author
DOI No: Not Available

ABSTRACT:
The aim of the present work is to explore the utility of QSAR study on the in vitro antimycobacterial activities of N-Benzylsalicylamides and N-Benzylsalicylthioamides derivatives reported by Dolezal et al against Mycobacterium kansasii CNCTC My (235/80) using electrotopological state atom (E-state) parameter. The reported minimum inhibitory concentrations [MIC] of the compounds determined after 14 days of incubation. Different statistical tools used in this communication are stepwise regression analysis and partial least squares analysis (PLS). All the developed models indicate the importance of connecting moiety methylcarboxamido / methylthiocarboxamido group between two substituted phenyl groups. Based on internal validation (Q2), external validation (R2pred) PLS analysis was found to be the best model (Q2=0.595, R2pred=0.759).
KEYWORDS:
QSAR, E-state, stepwise regression, PLS, N-Benzylsalicylamides, Benzylsalicylthioamides, Mycobacterium kansasii.
Cite:
Supratim Ray. QSAR Modeling of Antimycobacterial Activities of N-Benzylsalicylamides and N-Benzylsalicylthioamides Derivatives against Mycobacterium kansasii CNCTC My (235/80) Using Topological Parameter. Research J. Pharm. and Tech. 4(12): Dec. 2011; Page 1904-1909.
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