Year 2016, Volume 3 , Issue 2, Pages 147 - 158 2016-05-31

IN SILICO MODELLING OF CYTOTOXIC BEHAVIOUR OF ANTI-LEUKEMIC COMPOUNDS ON HL-60 CELL LINE

David Ebuka Arthur [1] , Adamu Uzairu [2] , Paul Mamza [3] , Eyije Abechi [4] , Gideon Shallangwa [5]


This research employs multiple linear regression technique in the modelling of some potent anti-leukemic compounds using paDEL molecular descriptor software calculator, to identify the best relationship between the chemical structure and toxicities of the anticancer datasets against some leukemic cell lines (HL-60). Statistical parameters such as Q2 and R2pred (test set) were computed to validate the strength of the model, while Williams plot was used to assess its applicability domain. The mean effects of the molecular descriptors in the models were calculated to illuminate the principal properties of the molecules responsible for their cytotoxicity.

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Journal Section Articles
Authors

Author: David Ebuka Arthur

Author: Adamu Uzairu

Author: Paul Mamza

Author: Eyije Abechi

Author: Gideon Shallangwa

Dates

Application Date : April 1, 2016
Acceptance Date : September 30, 2020
Publication Date : May 31, 2016

Vancouver Arthur D , Uzairu A , Mamza P , Abechi E , Shallangwa G . IN SILICO MODELLING OF CYTOTOXIC BEHAVIOUR OF ANTI-LEUKEMIC COMPOUNDS ON HL-60 CELL LINE. Journal of the Turkish Chemical Society Section A: Chemistry. 2016; 147-158.