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    Pharmacognosy CommunicationsNOW IN
    Article

    2D QSAR Study on Saponins of Pulsatilla koreana as an Anticancer Agent

    Bhushan A Baviskar1★, Sharada L Deore1, Sagar Alone1★ Corresponding author

    1. 1Government College of Pharmacy, Amravati-444 604, Maharashtra, INDIA.

    CORRESPONDENCE

    Bhushan A Baviskar

    Government College of Pharmacy, Amravati-444 604, Maharashtra, INDIA.

    baviskarbhushan@gmail.com

    Volume 9, Issue 1 · pp. 2–6 · PUBLISHED · DOI: 10.5530/pc.2019.1.2

    View on Pharmacogn. Commn. original site ↗

    ABSTRACT

    In the present communication, total seventeen saponin molecules were collected and subjected to quantitative structure-activity relationship (QSAR) analyses. 2D QSAR model is developed by using multiple linear regression method against 4 different cell lines. 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.

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      Baviskar, B. A., Deore, S. L., & Alone, S. (). 2D QSAR Study on Saponins of Pulsatilla koreana as an Anticancer Agent. Pharmacognosy Communications, 9(1), 2–6. https://doi.org/10.5530/pc.2019.1.2.