In Silico Investigations of some Adverse Effects of Anticancer Drugs used in Iraq | ||
| Iraqi Journal of Biotechnology | ||
| Article 1, Volume 13, Issue 1, April 2014, Pages 1-13 | ||
| Authors | ||
| Zahra M. AL-Khafaji; Aymen F. AL-Mulla | ||
| Abstract | ||
| Abstract: Adverse effects of anticancer drugs used in Iraq (30 drugs) were studied using in Silico approaches represented by using T.E.S.T v. 4.1 software. Results showed that 50% of drugs were mutagenic and 91% of them caused developmental toxicity .There was positive relationship between mutagenicity and developmental toxicity and the correlation coefficient was (r=0.779) . Most mutagenic activity caused by alkylating drugs (30.77%) and less than that by intercalating drugs (23.08%). Developmental toxicity mainly resulted from drugs affected the enzymes and receptors (29.41%) while drugs interact with tubulin resulted in (17.65%) of toxicity cases. The rest of percentages were due to other factors which some of them were unknown. There was no relationship between the number of rings (in general) in drug molecule and the mutagenicity and developmental toxicity. Other parameters such as number of rotatable bonds، HB donors and HB acceptors had no effect on mutagenicity and developmental toxicity. | ||
| Keywords | ||
| anticancer drugs; Mutagenicity; developmental toxicity; QSAR; in silico | ||
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