Molecular docking analysis of docetaxel analogues as duel lipocalin 2 inhibitors

Lipocalin 2 (Lcn2, also called as neutrophil gelatinase-associated lipocalin) is a member of thelipocalin family and a known target for breast cancer. Therefore, it is of interest to use Docetaxelas a scaffold to design molecules with improved efficiency from naturally derived phytochemicals.We document 10 analogues (4Deacetyltaxol, 7Acetyltaxol, Cabazitaxel, Cephalomannine,Docetaxal, Deacetyltaxol, Docetaxeltrihydrate, Ortataxel, Paclitaxel, Taxoline) having optimal bind‐ ing with Lipocalin 2 in comparison with Docetaxel. This data is highly useful for consideration inthe design and development of drugs for breast cancer.