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Indian Journal of Pharmaceutical Education and ResearchNOW IN
Article

Quantitative Structure Activity Relationship of 2, 5, 6–Trisubstituted imidazo (2, 1-b)-1, 3, 4–Thiadiazole as Anticancer Compounds

Sonal Dubey1★, Pradnya Bhosle2★ Corresponding author

  1. 1Krupanidhi College of Pharmacy, Carmelaram Post, Chikkabellandur, Varthur-Hobli Road, Bangalore-560035, India.
  2. 2K.L.E.U. College of Pharmacy, Rajajinagar II-Block, Bangalore, India.

CORRESPONDENCE

Sonal Dubey

Krupanidhi College of Pharmacy, Carmelaram Post, Chikkabellandur, Varthur-Hobli Road, Bangalore-560035, India.

drsonaldubey@gmail.com

Received: 16-05-2015; Revised: 03-08-2015; Accepted: 24-08-2015.

Volume 50, Issue 1 · pp. 198–204 · PUBLISHED 2016 · DOI: 10.5530/ijper.50.1.24

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ABSTRACT

Imidazoles being good Pharmacophore for anticancer series were exploited for their potential in the present study. Some new 2,5,6–trisubstituted imidazo (2,1-b)-1,3,4–thiadiazole possesing antineoplastic potential against 3 cell lines i.e. murine leukemia cells (L1210/0) and human T- lymphocyte cells (Molt4/C8 and CEM/0) were selected for studies. The IC50 values were taken along with the structures and a quantitative structure activity relationship was established for these novel 2,5,6-trisubstituted imidazo(2,1-b)-1,3,4-thiadiazole derivatives. The descriptors were calculated with the help of Chem 3D and Dragon software. Codessa and Vlife software were used to generate QSAR models. MLRA, PCR AND PLSR are the statistical tools employed for the study. The models developed had shown good statistical correlation with R2=0.99 and Q2=0.98. The QSAR models generated were also validated by using test compounds which have shown comparable results to the experimental values.

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    Dubey, S., & Bhosle, P. (2016). Quantitative Structure Activity Relationship of 2, 5, 6–Trisubstituted imidazo (2, 1-b)-1, 3, 4–Thiadiazole as Anticancer Compounds. Indian Journal of Pharmaceutical Education and Research, 50(1), 198–204. https://doi.org/10.5530/ijper.50.1.24