QSAR Analysis for Some 1, 2-Benzisothiazol-3-one Derivatives as Caspase-3 Inhibitors by Stepwise MLR Method

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HAJIMAHDI ZAHRA; Safizadeh Fatemeh; ZARGHI AFSHIN

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

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Journal: Iranian Journal of Pharmaceutical Research Year:2016 | Volume:15 | Issue:2 Page(s): 439-448

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Title

QSAR Analysis for Some 1, 2-Benzisothiazol-3-one Derivatives as Caspase-3 Inhibitors by Stepwise MLR Method

Author(s)

HAJIMAHDI ZAHRA | Safizadeh Fatemeh | ZARGHI AFSHIN | Issue Writer Certificate

Keywords

QSAR;1

Benzisothiazol

one derivatives;Caspase

3 inhibitors

Stepwise

MLR

Abstract

AbstractCaspase-3 inhibitory activities of some 1, 2-Benzisothiazol-3-one derivatives were modeled by quantitative structure– activity relationship (QSAR) using Stepwise-multiple linear regression (SW-MLR) method. The built model was robust and predictive with correlation coefficient (R2) of 0. 91 and 0. 59 for training and test groups, respectively. The quality of the model was evaluated by leave-one out (LOO) cross validation (LOO correlation coefficient, ( Q2) of 0. 80). The results indicate that the descriptors related to the electronegativity, the atomic masses, the atomic van der Waals volumes and R--CX--R Atom-centered fragments play a more significant role in caspase-3 inhibitory activity.

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APA: Copy

HAJIMAHDI, ZAHRA, Safizadeh, Fatemeh, & ZARGHI, AFSHIN. (2016). QSAR Analysis for Some 1, 2-Benzisothiazol-3-one Derivatives as Caspase-3 Inhibitors by Stepwise MLR Method. IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH (IJPR), 15(2), 439-448. SID. https://sid.ir/paper/288625/en

Vancouver: Copy

HAJIMAHDI ZAHRA, Safizadeh Fatemeh, ZARGHI AFSHIN. QSAR Analysis for Some 1, 2-Benzisothiazol-3-one Derivatives as Caspase-3 Inhibitors by Stepwise MLR Method. IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH (IJPR)[Internet]. 2016;15(2):439-448. Available from: https://sid.ir/paper/288625/en

IEEE: Copy

ZAHRA HAJIMAHDI, Fatemeh Safizadeh, and AFSHIN ZARGHI, “QSAR Analysis for Some 1, 2-Benzisothiazol-3-one Derivatives as Caspase-3 Inhibitors by Stepwise MLR Method,” IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH (IJPR), vol. 15, no. 2, pp. 439–448, 2016, [Online]. Available: https://sid.ir/paper/288625/en

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