2D QSAR study on Saponins of Pulsatilla koreana as an Anticancer agent

  • Posted on: 1 June 2015
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PharmaTutor (June- 2015)

 

Print-ISSN: 2394 - 6679
e-ISSN: 2347 - 7881
(Volume 3, Issue 6)

 

Received On: 07/02/2015; Accepted On: 22/03/2015; Published On: 01/06/2015

 

AUTHORS: Sagar Alone*, Sharda Deore, Bhushan Bawiskar
Department of Pharmacognosy & Phytochemistry
Govt. College of pharmacy, Kathora naka, Amravati-444604, India
*sagaralone123@gmail.com

 

ABSTRACT: Total seventeen saponins previously isolated from roots of Pulsatilla koreana having cytotoxic activity against 4 different cancer cell line (A-549, SK-OV-3, SK-MEL-2, HCT15) were used for 2D QSAR using V-life Molecular design suit. Using multiple linear regression method against 4 different cell lines develops QSAR model. QSAR model was generated by using training set of 11 and test set of 6 molecules having correlation coefficient (r2), significant cross validated correlation coefficient (q2) and F-test (For statistical significance) is as given below  (A-549: r2- 0.9281, q2- 0.8691, F-test- 51.6079),  (SK-OV-3: r2- 0.9554, q2- 0.9184, F-test- 85.7357),  (SK-MEL-2: r2- 0.9160, q2- 0.8285, F-test- 43.6084),  (HCT15: r2- 0.9203, q2- 0.8357, F-test- 46.1887). In this QSAR study Alignment independent descriptors such as T_2_C_7, T_O_O_5 and physicochemical descriptors like Chain path count such as 6 chain count and Chi chain such as Chi 6 chain were most responsible descriptors for anticancer activity.

 

How to cite this article: S Alone, S Deore, B Bawiskar; 2D QSAR study on Saponins of Pulsatilla koreana as an Anticancer agent; PharmaTutor; 2015; 3(6); 24-28

 

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