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Computational insight into the phthalocyanine-DNA binding via docking and molecular dynamics simulations
(Elsevier, 2018-12)
Phthalocyanines are considered as good DNA binders, which makes them promising anti-tumor drug leads. The purpose of this study is to investigate the interactions between DNA and quaternary metallophthalocyanine derivatives ...
Computational analysis of drug resistance of taxanes bound to human β-tubulin mutant (D26E)
(Elsevier Inc., 2023)
The single-point mutation D26E in human β-tubulin is associated with drug resistance seen with two anti-mitotic taxanes (paclitaxel and docetaxel) when used to treat cancers. The molecular mechanism of this resistance ...